Structure Information
Structure

Compound Identification

SMILES

CC(C)[N+]1(C(=O)C(C)C2=CC=CC=C2S1(=O)=O)C1=C(OCC#CCCl)C=CC(F)=C1

InChIKey

InChIKey=YTQXKJSTILWIBI-UHFFFAOYSA-N

Formula

C22H22ClFNO4S

Mass

450.93

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiazine - Sulfanilide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Ortho-thiazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Alkyl halide - Alkyl chloride - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

External Descriptors

Not available

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