Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@H](CC1=CC=CS1)C(=O)\C=C\OC

InChIKey

InChIKey=NFFXSIBOFIHRPJ-XUIVZRPNSA-N

Formula

C13H16O4S

Mass

268.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Beta-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta-keto acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Acryloyl-group - Heteroaromatic compound - Enone - Vinylogous ester - Alpha,beta-unsaturated ketone - Thiophene - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.

External Descriptors

Not available

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