Compound Identification
SMILES
NC1=C2C(OCC3=C(SC=C3)C2=O)=CC=C1
InChIKey
InChIKey=RSAQSSDRPQNHDV-UHFFFAOYSA-N
Formula
C12H9NO2S
Mass
231.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxepines
- Subclass Thienobenzoxepines
-
Class
Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Thienobenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Thienobenzoxepines
Alternative Parents
Aryl ketones Alkyl aryl ethers Benzenoids Vinylogous amides Thiophenes Heteroaromatic compounds Oxacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienobenzoxepine - Aryl ketone - Alkyl aryl ether - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Ketone - Ether - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienobenzoxepines. These are compounds containing a benzoxepine fused to a thiophene ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available