Structure Information
Structure

Compound Identification

SMILES

CCO[C@@H](C(=O)OCC)C(=C=O)C1=CC2=C(SC3=C(CC2)C=CC(=C3)C#N)C=C1

InChIKey

InChIKey=CCPRHJAMUJXALR-JOCHJYFZSA-N

Formula

C23H21NO4S

Mass

407.48

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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 Fatty acid esters Benzenoids Carboxylic acid esters Ynolates Nitriles Monocarboxylic acids and derivatives Ketenes Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Fatty acid ester - Benzenoid - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Ketene - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Ynolate - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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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