Structure Information
Structure

Compound Identification

SMILES

CC(N)=C(C#N)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC1CCCCCCC1

InChIKey

InChIKey=WWLHQMKSUHIJMN-UHFFFAOYSA-N

Formula

C23H29N3O4S

Mass

443.56

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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 - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Carboxylic acid derivative - Enamine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Cyanide - Organosulfur compound - Primary amine - Organic oxygen compound - Organonitrogen 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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