Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1S[C@H](CC2=CC3=C(OCO3)C=C2C1=O)C(=O)N(C)C1=CC=C(CN2CCOCC2)C=C1

InChIKey

InChIKey=WXCDTXPFUKVHQT-QMHKHESXSA-N

Formula

C25H28N2O5S

Mass

468.57

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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 - Benzodioxole - Anilide - Phenylmethylamine - Aryl ketone - Benzylamine - Aryl alkyl ketone - Aralkylamine - Morpholine - Monocyclic benzene moiety - Benzenoid - Oxazinane - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ketone - Acetal - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Aldehyde - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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