Compound Identification
SMILES
CSC1=CC=CC=C1C(=O)OCC1=COC(=N1)C1=CC=CS1
InChIKey
InChIKey=OUEMVVCZRQBYNL-UHFFFAOYSA-N
Formula
C16H13NO3S2
Mass
331.4
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
Benzoic acid esters Thiophenol ethers Benzoyl derivatives 2,4-disubstituted oxazoles Alkylarylthioethers Vinylogous thioesters Thiophenes Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - 2,4-disubstituted 1,3-oxazole - Alkylarylthioether - Vinylogous thioester - Azole - Heteroaromatic compound - Oxazole - Thiophene - Carboxylic acid ester - Organoheterocyclic compound - Thioether - Azacycle - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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