Structure Information
Structure

Compound Identification

SMILES

COC1=CC(F)=C(C=C1)C(=O)N1C2=C(CCCC2)N=C1SCC(=O)OCC=C

InChIKey

InChIKey=LKKAYLLLQDVOEN-UHFFFAOYSA-N

Formula

C20H21FN2O4S

Mass

404.46

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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

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Benzoyl - N-acylimidazole - Alkyl aryl ether - Halobenzene - Fluorobenzene - Imidazole-1-carbonyl group - Alkylarylthioether - N-substituted imidazole - Aryl fluoride - Aryl halide - Heteroaromatic compound - Imidazole - Azole - Vinylogous halide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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