Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(=O)C(=C/N1CCNC1=S)\C(=O)OCC

InChIKey

InChIKey=OSSVCVDWTCZQAZ-BQYQJAHWSA-N

Formula

C12H16N2O5S

Mass

300.33

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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

Aliphatic heteromonocyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Alpha-keto acid - Dicarboxylic acid or derivatives - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Imidazolidine - Carboxylic acid ester - Thiourea - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic 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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