Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.COC1=CC2=C(SC3=C(CC2N2CCN(CCO)CC2)C=C(Cl)C=C3)C=C1

InChIKey

InChIKey=MPIZUVQCQNQYHV-BTJKTKAUSA-N

Formula

C25H29ClN2O6S

Mass

521.03

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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 - Phenol ether - Anisole - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Dicarboxylic acid or derivatives - 1,4-diazinane - Aryl halide - Piperazine - Aryl chloride - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary amine - Tertiary aliphatic amine - 1,2-aminoalcohol - Carboxylic acid - Thioether - Carboxylic acid derivative - Azacycle - Ether - Alkanolamine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alcohol - 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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