Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(C#N)C1=C(CCC1)C(\SC)=C(\C#N)C(=O)OC

InChIKey

InChIKey=GDXGRSWJRQHUSV-OUKQBFOZSA-N

Formula

C15H16N2O4S

Mass

320.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Monocyclic monoterpenoids

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Monocyclic monoterpenoid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Vinylogous thioester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Thioenolether - Carboxylic acid derivative - Sulfenyl compound - Carbonitrile - Nitrile - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.

External Descriptors

Not available

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