Structure Information
Structure

Compound Identification

SMILES

COC1=C2N=C(SC2=C(C)C=C1)N(CC1=CC=CO1)C(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=UHTXRBHHGSYOHZ-UHFFFAOYSA-N

Formula

C21H16N4O7S

Mass

468.44

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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

Nitrobenzene - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Azole - Tertiary carboxylic acid amide - Thiazole - Furan - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - C-nitro compound - Carboxamide group - Organic nitro compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Amine - 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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