Compound Identification
SMILES
COC1=CC=C(C=C1)C1C\C(NC2=CC=CC=C2S1)=C1\C(=O)OC2=CC=CC=C2C1=O
InChIKey
InChIKey=GKZNUHLOIALIBI-NMWGTECJSA-N
Formula
C25H19NO4S
Mass
429.49
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
3,4-dihydrocoumarins Chromones Phenoxy compounds Anisoles Methoxybenzenes Aryl ketones Alkyl aryl ethers Alkylarylthioethers Vinylogous amides Enoate esters Lactones Azacyclic compounds Monocarboxylic acids and derivatives Enamines Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Benzothiazepine - Chromone - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Aryl ketone - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Ether - Enamine - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Thioether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - 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