Compound Identification
SMILES
CCC(=O)O[C@@H]1[C@@H](SC2=C(C=CC(Cl)=C2)N(CCNC)C1=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=FVXFMKDSDOJBEL-RTWAWAEBSA-N
Formula
C22H25ClN2O4S
Mass
448.96
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
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Tertiary carboxylic acid amides Amino acids and derivatives Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Thioether - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organochloride - Amine - Organohalogen 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