Structure Information
Structure

Compound Identification

SMILES

CSC1=CC(C(=O)OCC(=O)C2=C(C)N(CCC3=CC=C(F)C=C3)C(C)=C2)=C(Cl)C=C1

InChIKey

InChIKey=DWNLTSLJVOIHRM-UHFFFAOYSA-N

Formula

C24H23ClFNO3S

Mass

459.96

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - M-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Substituted pyrrole - Aryl chloride - Aryl fluoride - Vinylogous halide - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Ketone - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Thioether - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.

External Descriptors

Not available

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