Compound Identification
SMILES
CC1(CCSC2=CC=CC=C2C1=O)C(N)=O
InChIKey
InChIKey=CQLDDVPYIHRJQY-UHFFFAOYSA-N
Formula
C12H13NO2S
Mass
235.3
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
Aryl alkyl ketones Alkylarylthioethers Vinylogous thioesters Benzenoids Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Benzenoid - Vinylogous thioester - Carboxamide group - Ketone - Primary carboxylic acid amide - Thioether - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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