Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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