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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Bicyclic monoterpenoids
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
M-quinomethanes Cyclohexenones Vinylogous thioesters Methyl esters Enoate esters Thioenol ethers Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
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