Compound Identification
SMILES
COC(=O)CN1C(SC2=C1C=CC(NC(C)=O)=C2)=NC(=O)C1=C(Cl)C=CC(Cl)=C1
InChIKey
InChIKey=XGBFNDCJJWBBGZ-UHFFFAOYSA-N
Formula
C19H15Cl2N3O4S
Mass
452.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives N-acetylarylamines Benzothiazoles Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous halides Thiazoles Methyl esters Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - N-acetylarylamine - Benzoic acid or derivatives - 1,4-dichlorobenzene - Benzoyl - N-arylamide - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazole - Vinylogous halide - Acetamide - Azole - Heteroaromatic compound - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Isothiourea - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available