Structure Information
Structure

Compound Identification

SMILES

CC1(C)CS(=O)(=O)C2=C(C=C(F)C=C2)[C@H]([C@H]1O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=NTSPJNUVQPJLDT-IAGOWNOFSA-N

Formula

C18H18FNO5S

Mass

379.4

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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 - Nitrobenzene - Nitroaromatic compound - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - C-nitro compound - Organic nitro compound - Secondary alcohol - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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