Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(C#N)=C1C2CCC(C)C1C(=O)C(C#N)=C2SC

InChIKey

InChIKey=VTNUUNLCRFINGS-UHFFFAOYSA-N

Formula

C16H16N2O3S

Mass

316.38

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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

Bicyclic monoterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Bicyclic monoterpenoid - M-quinomethane - Quinomethane - Cyclohexenone - Vinylogous thioester - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Thioenolether - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

External Descriptors

Not available

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