Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.CNCCCOC1=CC=CC2=C1SC1=CC=CC=C1CC2=O.CNCCCOC1=CC=CC2=C1SC1=CC=CC=C1CC2=O

InChIKey

InChIKey=ZYJMGIIYLJRJDT-UHFFFAOYSA-N

Formula

C38H40N2O8S2

Mass

716.86

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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

Diarylthioethers Phenol ethers Aryl alkyl ketones Alkyl aryl ethers Vinylogous thioesters Dicarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Phenol ether - Aryl ketone - Aryl alkyl ketone - Aryl thioether - Alkyl aryl ether - Vinylogous thioester - Dicarboxylic acid or derivatives - Benzenoid - Ketone - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Thioether - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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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