Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)N=C(NC(=O)COC(=O)C1=CC=CC=C1Br)S2

InChIKey

InChIKey=FWDSJGDPRAXLAN-UHFFFAOYSA-N

Formula

C17H13BrN2O4S

Mass

421.27

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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 heteropolycyclic compounds

Substituents

Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-benzothiazole - Anisole - Benzoyl - N-arylamide - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azole - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic 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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