Structure Information
Structure

Compound Identification

SMILES

C[C@H](OC(=O)C1=CC=CC=C1SCC(=O)N(C)C)C(=O)NC1=CC=CC(=C1)C#N

InChIKey

InChIKey=QIDMPUQWVSWHHS-AWEZNQCLSA-N

Formula

C21H21N3O4S

Mass

411.48

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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

Benzoate ester - O-sulfanylbenzoic acid or derivatives - Anilide - Aryl thioether - Benzonitrile - Benzoyl - N-arylamide - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Cyanide - Hydrocarbon derivative - 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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