Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1SC2=CC=CC=C2N(CCOCC2=CC=CC=C2)C(=O)[C@@H]1C(C)=O
InChIKey
InChIKey=BRFDFHOYOOEJJE-CLJLJLNGSA-N
Formula
C27H27NO4S
Mass
461.58
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
Benzylethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Lactams Ketones Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Benzylether - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Thioether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen 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