Compound Identification
SMILES
CC1(C)CC2=C(SC3C=CC=CC3N2)C(=O)C1C(=O)C(N)=O
InChIKey
InChIKey=KHDAVCNMONWVAD-UHFFFAOYSA-N
Formula
C16H18N2O3S
Mass
318.39
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
Beta-diketones 1,4-thiazines Vinylogous amides Thioenol ethers Primary carboxylic acid amides Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - 1,3-diketone - Para-thiazine - 1,3-dicarbonyl compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Thioenolether - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Secondary amine - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Aliphatic 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