Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC1=CN=C(C[C@@H]2S[C@@H](C3=C(OC)C(OC)=CC=C3)C3=C(NC2=S)C=CC(Cl)=C3)S1

InChIKey

InChIKey=BGGACCNABYARSZ-RDPSFJRHSA-N

Formula

C25H25ClN2O4S3

Mass

549.12

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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 - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Fatty acid ester - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Fatty acyl - Thiazole - Azole - Heteroaromatic compound - Thiolactam - Methyl ester - Carboxylic acid ester - Thioether - Monocarboxylic acid or derivatives - Azacycle - Ether - Dialkylthioether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - Hydrocarbon derivative - Organic oxide - 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

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