Compound Identification
SMILES
CC1=CC(=O)\C(C(=O)O1)=C1\CC(SC2=CC=CC=C2N1)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=CDGRCICYGNSTKP-RCCKNPSSSA-N
Formula
C22H17NO5S
Mass
407.44
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
Benzodioxoles Alkylarylthioethers Dihydropyranones Benzenoids Vinylogous amides Enoate esters Enol esters Cyclic ketones Amino acids and derivatives Lactones Acetals Enamines Oxacyclic compounds Secondary amines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Benzodioxole - Aryl thioether - Dihydropyranone - Alkylarylthioether - Benzenoid - Enol ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Lactone - Acetal - Carboxylic acid derivative - Enamine - Oxacycle - Azacycle - Thioether - Monocarboxylic acid or derivatives - Secondary amine - Hydrocarbon derivative - Organic oxide - Aldehyde - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen 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