Structure Information
Structure

Compound Identification

SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C1=CC=CC=C1Br

InChIKey

InChIKey=AATFTGRGTLZCKD-UHFFFAOYSA-N

Formula

C16H14BrNO4S

Mass

396.26

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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

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Aryl ketone - Bromobenzene - 2,5-disubstituted thiophene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Acetamide - Vinylogous halide - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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