Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.COC1=CC2=C(SC3=CC=CC=C3CC2N2CCN(CCCO)CC2)C=C1

InChIKey

InChIKey=HLVUYLLCXYREKG-LVEZLNDCSA-N

Formula

C30H36N2O10S

Mass

616.68

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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 Anisoles N-alkylpiperazines Aralkylamines Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives 1,3-aminoalcohols Trialkylamines Carboxylic acids Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Azacycle - Thioether - Ether - Carboxylic acid derivative - Carboxylic acid - Primary alcohol - Organic oxygen compound - Organic oxide - Alcohol - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - 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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