Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.C(CNC1(C2=CC=CC=C2)C2=CC=CC=C2CSC2=CC=CC=C12)CN1CCOCC1

InChIKey

InChIKey=KJCQPYRFOMQVPU-WLHGVMLRSA-N

Formula

C31H34N2O5S

Mass

546.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Dibenzothiepins

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzothiepins

Alternative Parents

Molecular Framework

Not available

Substituents

Dibenzothiepin - Aryl thioether - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Morpholine - Oxazinane - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid - Ether - Secondary amine - Carboxylic acid derivative - Thioether - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.

External Descriptors

Not available

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