Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C=CC(SC)=C1)C#N

InChIKey

InChIKey=FWKGCZVSYOPIEV-UHFFFAOYSA-N

Formula

C10H9NO2S

Mass

207.25

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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

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzoate ester - M-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzonitrile - Benzoyl - Thiophenol ether - Alkylarylthioether - Methyl ester - Carboxylic acid ester - Thioether - Nitrile - Carbonitrile - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-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 3, respectively.

External Descriptors

Not available

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