Compound Identification
SMILES
CC1=C(CSC2=CC=CC=C2C(=O)OCC(=O)NC2=CC=CC=C2)C(C)=NO1
InChIKey
InChIKey=AKFYNGBXXLPYCI-UHFFFAOYSA-N
Formula
C21H20N2O4S
Mass
396.46
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 Anilides Thiophenol ethers Benzoyl derivatives N-arylamides Alkylarylthioethers Vinylogous thioesters Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Anilide - Aryl thioether - Benzoyl - Thiophenol ether - N-arylamide - Alkylarylthioether - Vinylogous thioester - Azole - Isoxazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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