Compound Identification
SMILES
O=C1SC2C3C1C(SC3=O)C1=CC=CC=C21
InChIKey
InChIKey=GQQGPYKAUJJCBG-UHFFFAOYSA-N
Formula
C12H8O2S2
Mass
248.31
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
Tetralins Thiolanes Carbothioic S-lactones Thiolactones Thioesters Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Tetralin - Benzenoid - Carbothioic s-lactone - Thiolane - Thiolactone - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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