Compound Identification
SMILES
CCOC(=O)C1=C(C)NC2=C(C1C1=CC=C(C)S1)C(=O)CC(C)(C)C2
InChIKey
InChIKey=RYSOJVGHRHLEKY-UHFFFAOYSA-N
Formula
C20H25NO3S
Mass
359.48
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
Dihydropyridines 2,5-disubstituted thiophenes Vinylogous amides Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydropyridine - 2,5-disubstituted thiophene - Cyclohexenone - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Enamine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - 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