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Structure Information
Structure

Compound Identification

SMILES

CC(C)=C(NC(=O)C1=CC=CC=C1)C(S)=O

InChIKey

InChIKey=KCSDRCJIYNKLJH-UHFFFAOYSA-N

Formula

C12H13NO2S

Mass

235.3

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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

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoyl - Carbodithioic acid - Carbothioic s-acid - Carboxamide group - Secondary carboxylic acid amide - Alkylthiol - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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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