Structure Information
Structure

Compound Identification

SMILES

CSC1=CC(C(=O)OCC(=O)NC2=C(C(N)=O)C3=C(CCC3)S2)=C(Cl)C=C1

InChIKey

InChIKey=BPLGOPQYKUYXJZ-UHFFFAOYSA-N

Formula

C18H17ClN2O4S2

Mass

424.91

Export to:

JSON SDF CSV

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 heteropolycyclic compounds

Substituents

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

Previous Back Next