Structure Information
Structure

Compound Identification

SMILES

CO\C(=C/C1=C(Cl)C=C(C=C1Cl)C(=O)NC1=NC(=CS1)C1=C(F)C(OC)=CC=C1)C(O)=O

InChIKey

InChIKey=JQLJNVTTYXKFMZ-IUXPMGMMSA-N

Formula

C21H15Cl2FN2O5S

Mass

497.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylpyruvic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyruvic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid - Cinnamic acid or derivatives - Enol-phenylpyruvate - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - 1,3-dichlorobenzene - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl chloride - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.

External Descriptors

Not available

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