Compound Identification
SMILES
CC(C)N1C2=C(SC3=C(C=CC=N3)C1=O)C=C(C=C2)C(=O)NCC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=QELAJYFPJYGMQK-UHFFFAOYSA-N
Formula
C24H21N3O4S
Mass
447.51
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
Diarylthioethers Benzodioxoles Benzenoids Vinylogous thioesters Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Diarylthioether - Benzodioxole - Aryl thioether - Pyridine - Benzenoid - Vinylogous thioester - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioether - Carboxylic acid derivative - Acetal - Oxacycle - Azacycle - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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