Compound Identification
SMILES
CN(C1CCCCC1)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)N1CCCC1
InChIKey
InChIKey=FNOZLOMPJGDSOL-UHFFFAOYSA-N
Formula
C22H30N2O4S
Mass
418.55
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 N-acylpyrrolidines Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Tertiary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - N-acylpyrrolidine - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Pyrrolidine - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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