Compound Identification
SMILES
CC(C)[C@@H](C)NC(=O)COC(=O)C1=CC=CC=C1SCC1=C(C)ON=C1C
InChIKey
InChIKey=ONUKSJSZUBAZMI-CYBMUJFWSA-N
Formula
C20H26N2O4S
Mass
390.5
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 Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Azole - Heteroaromatic compound - Isoxazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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