Structure Information
Structure

Compound Identification

SMILES

CCOP(=O)(CC1=CC=C(NC(=O)[C@H]2CC3=C(C=C(C)C=C3)C(=O)[C@H](C)S2)C=C1)OCC

InChIKey

InChIKey=JVTUHZIWJOWRCZ-HTAPYJJXSA-N

Formula

C24H30NO5PS

Mass

475.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiepins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiepin - Anilide - N-arylamide - Aryl alkyl ketone - Aryl ketone - Dialkyl alkylphosphonate - Phosphonic acid diester - Monocyclic benzene moiety - Phosphonic acid ester - Benzenoid - Organophosphonic acid derivative - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Thioether - Dialkylthioether - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).

External Descriptors

Not available

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