Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)NC(C(=O)C(C)OC(=O)C2=C(Cl)C=CC(SC)=C2)=C1C

InChIKey

InChIKey=XCCVOJFEZFAZIF-UHFFFAOYSA-N

Formula

C20H22ClNO5S

Mass

423.91

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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 - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Pyrrole-3-carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Vinylogous halide - Carboxylic acid ester - Ketone - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organosulfur compound - 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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