Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C=C(C=C1)[C@H]1SC2=C(C=CC(OC3=CC=CC=C3)=C2)N(CCN(C)C)C(=O)[C@H]1O

InChIKey

InChIKey=IGYJSQQTSFHAQO-LOSJGSFVSA-N

Formula

C26H27ClN2O4S

Mass

499.02

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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 - Diaryl ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Thioether - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Amine - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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

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