Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)N[C@@H](CC1=CC=CC=C1)C(C)=O

InChIKey

InChIKey=PDGXPAHJWCQWOT-KRWDZBQOSA-N

Formula

C20H21NO4S

Mass

371.45

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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 homomonocyclic compounds

Substituents

Amphetamine or derivatives - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organosulfur compound - Organonitrogen compound - Organooxygen 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

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