Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC2=C(C=C1)N(CC=C)C(S2)=NC(=O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=RQYIBVXLESJABE-UHFFFAOYSA-N

Formula

C20H17N3O5S

Mass

411.43

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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

Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Isothiourea - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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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