Compound Identification
SMILES
CCC(O)(CC)C(=O)C1=CC2=C(SC3=CC=CC=C3C(=O)C2=O)C=C1
InChIKey
InChIKey=QHKZFNDIPKNLKG-UHFFFAOYSA-N
Formula
C20H18O4S
Mass
354.42
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
Butyrophenones Aryl alkyl ketones Acyloins Tertiary alcohols Heteroaromatic compounds Alpha-hydroxy ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Butyrophenone - Aryl alkyl ketone - Aryl ketone - Acyloin - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Heteroaromatic compound - Ketone - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - 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