Structure Information
Structure

Compound Identification

SMILES

CCCCC1(CCCC)CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C1=CC=C(OCC2=CC=C(C[N+]3=CC=CC=C3)C=C2)C=C1

InChIKey

InChIKey=FDSXMTNEXOLLHB-XPSQVAKYSA-N

Formula

C39H49N2O4S

Mass

641.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiepins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiepin - Phenoxy compound - Phenol ether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyridinium - Heteroaromatic compound - Sulfone - Tertiary amine - Secondary alcohol - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).

External Descriptors

Not available

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