Compound Identification
SMILES
CCCCC1(CCCC)CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C([C@H]1O)C1=CC(F)=C(OCCOC2=C(F)C=C(C)C=C2)C=C1
InChIKey
InChIKey=GRITVFCOFMMYGB-MUADHRSZSA-N
Formula
C35H45F2NO5S
Mass
629.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Phenoxy compounds Phenol ethers Dialkylarylamines Toluenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Sulfones Secondary alcohols Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Phenoxy compound - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - Secondary alcohol - Tertiary amine - Ether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available