Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC([O-])=O)C=C(Br)C(\C=C2/SC3=NC4=CC=CC=C4N3C2=O)=C1

InChIKey

InChIKey=CJELNMKISFKFHO-APSNUPSMSA-M

Formula

C19H12BrN2O5S

Mass

460.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenoxyacetic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxyacetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxyacetate - Benzimidazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - N-substituted imidazole - Aryl halide - Heteroaromatic compound - Imidazole - Thiazole - Azole - Carboxylic acid salt - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

External Descriptors

Not available

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