Compound Identification
SMILES
COC1=CC2=C(C=C1)C(CCO2)=NOC(=O)C1=CC=CC=C1SC
InChIKey
InChIKey=SORKCPAOOWKZRJ-UHFFFAOYSA-N
Formula
C18H17NO4S
Mass
343.4
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
1-benzopyrans Thiophenol ethers Benzoyl derivatives Anisoles Alkylarylthioethers Alkyl aryl ethers Vinylogous thioesters Oxime esters Sulfenyl compounds Oxacyclic compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromane - Benzopyran - O-sulfanylbenzoic acid or derivatives - 1-benzopyran - Aryl thioether - Anisole - Benzoyl - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Vinylogous thioester - Oximester - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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