Structure Information
Structure

Compound Identification

SMILES

CSC1=CC(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)=C(Cl)C=C1

InChIKey

InChIKey=YMJJUYWHSLTNCL-UHFFFAOYSA-N

Formula

C20H24ClNO3S

Mass

393.93

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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 homopolycyclic compounds

Substituents

Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - M-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic homopolycyclic 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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