Compound Identification
SMILES
COC1=CC=C(C=C1)C1SC2=C(C=C(OC)C=C2)N(CCN(C)C)C(=O)C1O
InChIKey
InChIKey=QUGMCPHZRGYIQS-UHFFFAOYSA-N
Formula
C21H26N2O4S
Mass
402.51
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 Alkylarylthioethers Alkyl aryl ethers Tertiary carboxylic acid amides Trialkylamines Secondary alcohols Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl 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 - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Lactam - Thioether - Azacycle - Ether - Carboxylic acid derivative - Alcohol - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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