Compound Identification
SMILES
Cl.COC1=CC=C(C=C1)[C@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@H]1OC(C)=O
InChIKey
InChIKey=HDRXZJPWHTXQRI-JUDYQFGCSA-N
Formula
C22H27ClN2O4S
Mass
450.98
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 Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Lactam - Azacycle - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen 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
CHEBI:82817 : hydrochloride