Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CC(O)=O.ClC1=CC2=C(SCC3=CC=CC=C3C2C2=NCCN2)C=C1

InChIKey

InChIKey=VZQZWRBTMUUSPV-UHFFFAOYSA-N

Formula

C21H19ClN2O4S

Mass

430.9

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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

Alkylarylthioethers Unsaturated fatty acids Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Imidolactams Imidazolines Azacyclic compounds Carboxylic acids Carboximidamides Carboxamidines Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides Organochlorides

Molecular Framework

Not available

Substituents

Dibenzothiepin - Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Imidolactam - Unsaturated fatty acid - Benzenoid - 2-imidazoline - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Thioether - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - 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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