Compound Identification
SMILES
CC1(C)CS(=O)(=O)C2=C(C=C(F)C=C2)[C@H]([C@H]1O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=NTSPJNUVQPJLDT-IAGOWNOFSA-N
Formula
C18H18FNO5S
Mass
379.4
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
Nitrobenzenes Nitroaromatic compounds Aryl fluorides Sulfones Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Nitrobenzene - Nitroaromatic compound - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - C-nitro compound - Organic nitro compound - Secondary alcohol - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen 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