Compound Identification
SMILES
CC1=CC=C(S1)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
InChIKey
InChIKey=IKCBGWDWSMMEIU-CQSZACIVSA-N
Formula
C17H18N2O2S
Mass
314.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
2,5-disubstituted thiophenes Pyrans Vinylogous esters Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclohexenone - 2,5-disubstituted thiophene - Pyran - Thiophene - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available