Compound Identification
SMILES
CC1SC(CC2=CC3=C(OCO3)C=C2C1=O)C(=O)NC1=CC=C(CN2CCCS2(=O)=O)C=C1
InChIKey
InChIKey=VFLOMBOAKGIMGX-UHFFFAOYSA-N
Formula
C23H24N2O6S2
Mass
488.57
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
Anilides Benzodioxoles N-arylamides Aryl alkyl ketones Gamma sultams Organosulfonamides Organic sulfonamides Secondary carboxylic acid amides Oxacyclic compounds Acetals Dialkylthioethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Benzodioxole - Anilide - N-arylamide - Aryl alkyl ketone - Aryl ketone - Gamma-sultam - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ketone - Thioether - Oxacycle - Dialkylthioether - Azacycle - Acetal - Carboxylic acid derivative - Aldehyde - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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