Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)S(=O)NC(=O)NC1=CC=C(Cl)C=C1
InChIKey
InChIKey=GZERHKKJEHCOLI-UHFFFAOYSA-N
Formula
C15H13ClN2O4S
Mass
352.79
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
P-sulfanylbenzoic acids and derivatives
Alternative Parents
N-phenylureas Benzoic acid esters Benzoyl derivatives Chlorobenzenes Aryl chlorides Methyl esters Sulfinic acids and derivatives Organic carbonic acids and derivatives Aminosulfinyl compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - N-phenylurea - Benzoate ester - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Methyl ester - Aminosulfinyl compound - Sulfinic acid derivative - Carbonic acid derivative - Carboxylic acid ester - Sulfinyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-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 4, respectively.
External Descriptors
Not available