Compound Identification
SMILES
CC[S@](=O)C1=CC=CC=C1C(=O)O[C@@H](C)C(=O)NC1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=OGHCTEAHNBEZRV-OIJAAMDRSA-N
Formula
C20H21NO6S
Mass
403.45
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 Benzo-1,4-dioxanes Phenyl sulfoxides N-arylamides Benzoyl derivatives Alkyl aryl ethers Para dioxins Sulfoxides Secondary carboxylic acid amides Carboxylic acid esters Sulfinyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Benzoyl - N-arylamide - Alkyl aryl ether - Para-dioxin - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Ether - Organoheterocyclic compound - Sulfinyl compound - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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