Compound Identification
SMILES
CSC1=CC(C(=O)OC(C)C(=O)NC2=CC=C(NC(C)=O)C=C2)=C(Cl)C=C1
InChIKey
InChIKey=SNZMGYYXMPIIKE-UHFFFAOYSA-N
Formula
C19H19ClN2O4S
Mass
406.88
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 Acetanilides Benzoic acid esters N-acetylarylamines Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Acetamides Carboxylic acid esters Secondary carboxylic acid amides Sulfenyl compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acetanilide - M-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - N-acetylarylamine - Anilide - Aryl thioether - Thiophenol ether - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Aryl chloride - Vinylogous halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic 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