Compound Identification
SMILES
CC1=CC(=O)\C(C(=O)O1)=C1\CC(SC2=CC=CC=C2N1)C1=CC=CC=C1
InChIKey
InChIKey=JNYIHESCKAMBRF-CAPFRKAQSA-N
Formula
C21H17NO3S
Mass
363.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Alkylarylthioethers Dihydropyranones Benzene and substituted derivatives Vinylogous amides Enoate esters Enol esters Lactones Amino acids and derivatives Cyclic ketones Enamines Oxacyclic compounds Secondary amines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Dihydropyranone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Enol ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Secondary amine - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Thioether - Carboxylic acid derivative - Enamine - Organooxygen compound - Organic oxide - Organopnictogen compound - Amine - Aldehyde - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available