Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.CC1COC(CCN2CCN(CC2)C2CC3=C(SC4=C2C=C(Cl)C=C4)C=C(F)C=C3)O1

InChIKey

InChIKey=LRFCLQQDLBNLAX-WLHGVMLRSA-N

Formula

C28H32ClFN2O6S

Mass

579.08

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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 Aralkylamines N-alkylpiperazines Unsaturated fatty acids Aryl chlorides Aryl fluorides Benzenoids Dicarboxylic acids and derivatives 1,3-dioxolanes Trialkylamines Oxacyclic compounds Acetals Azacyclic compounds Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Thioether - Acetal - Oxacycle - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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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