Compound Identification
SMILES
COC(=S)NC[C@H]1CN(C(=O)O1)C1=CC=C(C=C1)C1=CC(=O)CCC1
InChIKey
InChIKey=LIUCKSFWFCFJRB-INIZCTEOSA-N
Formula
C18H20N2O4S
Mass
360.43
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
Oxazolidinones Benzene and substituted derivatives Thiocarbamic acid esters Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cyclohexenone - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Oxazolidine - Thiocarbamic acid ester - Carbamic acid ester - Thiocarbamic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Aromatic heteromonocyclic 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