Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(NC2=NC(=O)C(S2)=CC2=CC=C(Br)C=C2)C=C1

InChIKey

InChIKey=ILRBTZHZGZQIEQ-UHFFFAOYSA-N

Formula

C18H13BrN2O3S

Mass

417.28

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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 - Benzoyl - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Methyl ester - Meta-thiazoline - Isothiourea - Carboxylic acid ester - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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