Compound Identification
SMILES
CSC1=CC=CC=C1C(=O)OCC(=O)N[C@@H](CC1=CC=CC=C1)C(C)=O
InChIKey
InChIKey=PDGXPAHJWCQWOT-KRWDZBQOSA-N
Formula
C20H21NO4S
Mass
371.45
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 Amphetamines and derivatives Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Secondary carboxylic acid amides Ketones Carboxylic acid esters Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organosulfur compound - Organonitrogen compound - Organooxygen 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