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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
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
2-halobenzoic acids and derivatives Benzoic acid esters Thiophenol ethers Thiophene carboxamides N-arylamides Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
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