Compound Identification
SMILES
COC(=O)CC1CNC(=O)C2=CC=CC=C2S1
InChIKey
InChIKey=WZRLKBDLMMMYTG-UHFFFAOYSA-N
Formula
C12H13NO3S
Mass
251.3
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
Alkylarylthioethers Vinylogous thioesters Benzenoids Methyl esters Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Alkylarylthioether - Vinylogous thioester - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen 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