Compound Identification
SMILES
CCOC(=O)[C@H]1[C@@H](SC2=CC=CC=C2N(CCN(C)C)C1=O)C1=CC=C(C)S1
InChIKey
InChIKey=VCJIGDSDAWIKDU-OALUTQOASA-N
Formula
C21H26N2O3S2
Mass
418.57
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 2,5-disubstituted thiophenes Benzenoids 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Lactams Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Alkylarylthioether - 2,5-disubstituted thiophene - Benzenoid - 1,3-dicarbonyl compound - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen 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