Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(NC(=O)C1=CC=C(Br)C=C1)(NC1=NC=CS1)C(F)(F)F

InChIKey

InChIKey=WORFVATUHSJVKL-UHFFFAOYSA-N

Formula

C14H11BrF3N3O3S

Mass

438.22

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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 heteromonocyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiazole - Methyl ester - Azole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alkyl halide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic 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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