Compound Identification
SMILES
OC(=O)C=CC(O)=O.CC1=CC(OCCNCCC(=O)N2CCCSC3=CC=CC=C23)=CC=C1
InChIKey
InChIKey=DIQDGLYESHFMOW-UHFFFAOYSA-N
Formula
C25H30N2O6S
Mass
486.58
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
Beta amino acids and derivatives Phenoxy compounds Phenol ethers Toluenes Alkylarylthioethers Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzothiazepine - Beta amino acid or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen 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
Not available