Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)C2=C(F)C=CC=C2Cl)SC2=C1CCC(C2)C1=CC=CC=C1

InChIKey

InChIKey=VVQQFMBPQUONEV-UHFFFAOYSA-N

Formula

C23H19ClFNO3S

Mass

443.92

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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 - Benzamide - Benzoyl - Thiophene carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Thiophene - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - 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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