Structure Information
Structure

Compound Identification

SMILES

C[C@H]1C[C@@H](OC(=O)C2=CC=CC=C2SCC(=O)NC2=CC=C(C)C=C2)C(=O)O1

InChIKey

InChIKey=TZGRZDIZZVDMHB-WMLDXEAASA-N

Formula

C21H21NO5S

Mass

399.46

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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

Benzoate ester - O-sulfanylbenzoic acid or derivatives - Anilide - Aryl thioether - Benzoyl - N-arylamide - Thiophenol ether - Toluene - Alkylarylthioether - Gamma butyrolactone - Vinylogous thioester - Oxolane - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - 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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