Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CC(O)=O.CC1=CC(OCCNCCC(=O)N2CCCSC3=CC=CC=C23)=CC=C1

InChIKey

InChIKey=DIQDGLYESHFMOW-UHFFFAOYSA-N

Formula

C25H30N2O6S

Mass

486.58

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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

Not available

Substituents

Benzothiazepine - Beta amino acid or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen 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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