Compound Identification
SMILES
COC(=O)C1=C(OC(C)C)C=CC=C1SC(=O)N(C)C
InChIKey
InChIKey=YMNUEBNWUSDFAB-UHFFFAOYSA-N
Formula
C14H19NO4S
Mass
297.37
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 Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl thioethers Alkyl aryl ethers Methyl esters Thiocarbamic acid derivatives Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Phenoxy compound - Aryl thioether - Benzoyl - Phenol ether - Alkyl aryl ether - Methyl ester - Thiocarbamic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Sulfenyl compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen 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