Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CSCCC#N)NC(=O)c1ccc(Cl)cc1Cl

InChIKey

InChIKey=RJGBHBPYLDHVLS-UHFFFAOYSA-N

Formula

C13H12Cl2N2O3S

Mass

347.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Cysteine or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Cyanide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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