Compound Identification
SMILES
COC(=O)CCC1=CN=C(C[C@@H]2S[C@@H](C3=C(OC)C(OC)=CC=C3)C3=C(NC2=S)C=CC(Cl)=C3)S1
InChIKey
InChIKey=BGGACCNABYARSZ-RDPSFJRHSA-N
Formula
C25H25ClN2O4S3
Mass
549.12
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
Dimethoxybenzenes Phenoxy compounds Anisoles 2,5-disubstituted thiazoles Alkyl aryl ethers Fatty acid esters Aryl chlorides Thiolactams Methyl esters Heteroaromatic compounds Azacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Thiocarbonyl compounds Organic oxides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Fatty acid ester - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Fatty acyl - Thiazole - Azole - Heteroaromatic compound - Thiolactam - Methyl ester - Carboxylic acid ester - Thioether - Monocarboxylic acid or derivatives - Azacycle - Ether - Dialkylthioether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - Hydrocarbon derivative - Organic oxide - 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