Compound Identification
SMILES
CN(C)C1=CC=C(C=C1)[C@H]1CC(NC2=CC=CC=C2S1)=C1C(=O)OC(C)=CC1=O
InChIKey
InChIKey=OOYFZAWUAPQKQU-OAQYLSRUSA-N
Formula
C23H22N2O3S
Mass
406.5
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
Aniline and substituted anilines Dialkylarylamines Secondary alkylarylamines Alkylarylthioethers Dihydropyranones Vinylogous amides Enoate esters Enol esters Amino acids and derivatives Cyclic ketones Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Enamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl thioether - Dihydropyranone - Secondary aliphatic/aromatic amine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Enol ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Amino acid or derivatives - Tertiary amine - Cyclic ketone - Monocarboxylic acid or derivatives - Enamine - Azacycle - Oxacycle - Carboxylic acid derivative - Secondary amine - Thioether - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - 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