Compound Identification
SMILES
CCCC[C@]1(CC)CS(=O)(=O)C2=C(C=C(SC)C=C2)[C@H]([C@H]1O)C1=CC=C(F)C=C1
InChIKey
InChIKey=FIMYYRWZVJCULV-DNVJHFABSA-N
Formula
C23H29FO3S2
Mass
436.6
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
Thiophenol ethers Fluorobenzenes Alkylarylthioethers Aryl fluorides Sulfones Secondary alcohols Sulfenyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Thiophenol ether - Alkylarylthioether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - Secondary alcohol - Sulfenyl compound - Thioether - Organohalogen compound - Organosulfur compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organooxygen compound - 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