Compound Identification
SMILES
C[S@@](=O)C1=CC=CC=C1C(=O)OCC(=O)NC1=CC=C(C=C1)C#N
InChIKey
InChIKey=AJPHGUQHYBDVEY-XMMPIXPASA-N
Formula
C17H14N2O4S
Mass
342.37
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
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Phenyl sulfoxides Anilides N-arylamides Benzoyl derivatives Benzonitriles Sulfoxides Secondary carboxylic acid amides Carboxylic acid esters Sulfinyl compounds Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Anilide - Benzonitrile - Benzoyl - N-arylamide - Carboxamide group - Carboxylic acid ester - Sulfoxide - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfinyl compound - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-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 2, respectively.
External Descriptors
Not available