Compound Identification
SMILES
[Ho].COC1=C(F)C=C(C=C1)[C@H]1[C@@H](O)C(C)(C)CS(=O)(=O)C2=C[C-]=CC=C12
InChIKey
InChIKey=SVCUAQQLYSXNNN-JAXOOIEVSA-N
Formula
C19H20FHoO4S
Mass
528.35
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 Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Sulfones Secondary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - Secondary alcohol - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organofluoride - Organooxygen compound - Organic anion - 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