Structure Information
Structure

Compound Identification

SMILES

COC1=CC(CCN2CCN(CCCCOC3=CC=CC=C3[N+]3(CC4=CC=CC=C4)C(=O)C(C)C4=CC=CC=C4S3(=O)=O)CC2)=CC(OC)=C1OC

InChIKey

InChIKey=YQFOYBLZZAJNMP-UHFFFAOYSA-N

Formula

C41H50N3O7S

Mass

728.92

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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 - Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Ortho-thiazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - 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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