Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C([O-])=O.C[NH+](C)CCOC1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2

InChIKey

InChIKey=OUAVKJXGGHWHBO-BTJKTKAUSA-N

Formula

C22H24ClNO5S

Mass

449.95

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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 - Diarylthioether - Aryl thioether - Aryl chloride - Aryl halide - Fatty acyl - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Quaternary ammonium salt - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic cation - 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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