Compound Identification
SMILES
COC1=C(OC)C=C(C(=O)N2CSC[C@H]2C(O)=O)C(S)=C1
InChIKey
InChIKey=MLYXVDANCDMGQL-QMMMGPOBSA-N
Formula
C13H15NO5S2
Mass
329.39
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
Alpha amino acids and derivatives Dimethoxybenzenes Benzamides Thiophenols Anisoles Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Thiazolidines Tertiary carboxylic acid amides Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Thiols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - O-sulfanylbenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Thiophenol - Alkyl aryl ether - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Arylthiol - Hemithioaminal - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - 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