Compound Identification
SMILES
COC(=O)CN1C(SC2=C1C=CC(OC)=C2)=NC(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=ZZEFRUUZWKWCNT-UHFFFAOYSA-N
Formula
C18H14Cl2N2O4S
Mass
425.28
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
-
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 4-halobenzoic acids and derivatives Benzothiazoles Anisoles Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Aryl chlorides Vinylogous halides Thiazoles Methyl esters Heteroaromatic compounds Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - 1,3-benzothiazole - Anisole - 1,3-dichlorobenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Vinylogous halide - Methyl ester - Thiazole - Carboxylic acid ester - Isothiourea - Ether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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