Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CC(=O)C(=CNC(=S)NNC(C)=O)C(=O)OCC

InChIKey

InChIKey=ABZCOGPOUSTLLU-UHFFFAOYSA-N

Formula

C13H19N3O6S

Mass

345.37

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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 acyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - 1,3-dicarbonyl compound - Acryloyl-group - Enone - Acetamide - Vinylogous amide - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiosemicarbazide - Carboxylic acid ester - Carboxylic acid hydrazide - Ketone - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic 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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