Compound Identification
SMILES
COC(=O)CN1C(SC2=C1C=CC(NC(C)=O)=C2)=NC(=O)C1=CC(F)=CC=C1
InChIKey
InChIKey=YEPYHOGCUFYYQL-UHFFFAOYSA-N
Formula
C19H16FN3O4S
Mass
401.41
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
-
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
3-halobenzoic acids and derivatives Benzothiazoles N-acetylarylamines Benzoyl derivatives Fluorobenzenes Aryl fluorides Acetamides Methyl esters Heteroaromatic compounds Thiazoles Isothioureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - N-acetylarylamine - Benzoic acid or derivatives - Benzoyl - N-arylamide - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Acetamide - Methyl ester - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Isothiourea - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - 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