Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CC[C@H](NCC3=CC=C(C=C3)C#N)C3=CC(=O)C(SC)=CC=C23)=C1
InChIKey
InChIKey=PEHBKWRZINGKCK-QFIPXVFZSA-N
Formula
C28H28N2O4S
Mass
488.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Hydrocarbon derivatives
- Class Tropones
-
Superclass
Hydrocarbon derivatives
Kingdom
Organic compounds
Superclass
Hydrocarbon derivatives
Class
Tropones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tropones
Alternative Parents
Phenylmethylamines Benzylamines Benzonitriles Anisoles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Cyclic ketones Sulfenyl compounds Nitriles Dialkylamines Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aryl thioether - Anisole - Benzonitrile - Benzylamine - Phenol ether - Phenylmethylamine - Tropone - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Cyclic ketone - Secondary amine - Sulfenyl compound - Thioether - Secondary aliphatic amine - Ether - Nitrile - Carbonitrile - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group.
External Descriptors
Not available