Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(OC(C)=O)C2=CC=C(CN(C)C)N2C2=C(S1)C=CC(Cl)=C2
InChIKey
InChIKey=XLKYMMNWENWFIB-UHFFFAOYSA-N
Formula
C24H23ClN2O3S
Mass
454.97
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 Anisoles Methoxybenzenes Aryl thioethers Alkyl aryl ethers Aralkylamines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Enol esters Trialkylamines Thioenol ethers Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Aryl chloride - Substituted pyrrole - Benzenoid - Aryl halide - Pyrrole - Enol ester - Heteroaromatic compound - Thioenolether - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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