Compound Identification
SMILES
CC(O)(C(=O)NC1=CC2=C(C=C1)C(=O)C1=C(CS2)OC=C1)C(F)(F)F
InChIKey
InChIKey=COHMLRKMWDCTON-UHFFFAOYSA-N
Formula
C16H12F3NO4S
Mass
371.33
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
N-arylamides Aryl ketones Alkylarylthioethers Vinylogous thioesters Benzenoids Tertiary alcohols Heteroaromatic compounds Furans Secondary carboxylic acid amides Fluorohydrins Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Aryl ketone - N-arylamide - Alkylarylthioether - Vinylogous thioester - Benzenoid - Furan - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Fluorohydrin - Halohydrin - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Thioether - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organofluoride - Organonitrogen compound - 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