Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=ZWMZMLCFIFMQCG-UHFFFAOYSA-N

Formula

C14H13NO4S2

Mass

323.38

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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

Benzoic acid esters

Direct Parent

o-Hydroxybenzoic acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alpha-branched alpha,beta-unsaturated-ketone - Vinylogous thioester - Vinylogous acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Methyl ester - Enone - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Carboxylic acid derivative - Sulfenyl compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.

External Descriptors

Not available

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