Compound Identification
SMILES
C[C@H]1C[C@@H](OC(=O)C2=CC=CC=C2SCC(=O)NC2=CC=C(C)C=C2)C(=O)O1
InChIKey
InChIKey=TZGRZDIZZVDMHB-WMLDXEAASA-N
Formula
C21H21NO5S
Mass
399.46
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 Toluenes Alkylarylthioethers Vinylogous thioesters Gamma butyrolactones Oxolanes Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Anilide - Aryl thioether - Benzoyl - N-arylamide - Thiophenol ether - Toluene - Alkylarylthioether - Gamma butyrolactone - Vinylogous thioester - Oxolane - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - 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