Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1)[C@H]1SC2=C(C=CC(OC3=CC=CC=C3)=C2)N(CCN(C)C)C(=O)[C@H]1O
InChIKey
InChIKey=IGYJSQQTSFHAQO-LOSJGSFVSA-N
Formula
C26H27ClN2O4S
Mass
499.02
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
Diarylethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Secondary alcohols Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Diaryl ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Thioether - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Amine - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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