Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazepines

Alternative Parents

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

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