Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC2=C(C=C1)N=C(SCCS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O)S2

InChIKey

InChIKey=MKCIXVOCUCWQIH-UHFFFAOYSA-N

Formula

C17H16N2O5S3

Mass

424.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzenesulfonyl group - 1,3-benzothiazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Sulfone - Sulfonyl - Organic nitro compound - C-nitro compound - Ether - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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