Compound Identification
SMILES
CC(N)=C(C#N)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC1CCCCCCC1
InChIKey
InChIKey=WWLHQMKSUHIJMN-UHFFFAOYSA-N
Formula
C23H29N3O4S
Mass
443.56
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 Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Acryloyl compounds Enones Secondary carboxylic acid amides Ketones Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Nitriles Enamines Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Carboxylic acid derivative - Enamine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Cyanide - Organosulfur compound - Primary amine - Organic oxygen compound - Organonitrogen 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