Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(C(=O)NCC(N)=O)=C1SC(C)=O

InChIKey

InChIKey=JHASCCSJNNFJQP-UHFFFAOYSA-N

Formula

C12H14N2O4S

Mass

282.31

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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

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - O-sulfanylbenzoic acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Thiophenol ester - Phenoxy compound - Aryl thioether - Phenol ether - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Carboxamide group - Thiocarboxylic acid ester - Primary carboxylic acid amide - Carbothioic s-ester - Secondary carboxylic acid amide - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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