Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2)C=C(Cl)C=C1

InChIKey

InChIKey=LGROTYWIMKVYAE-UHFFFAOYSA-N

Formula

C18H12ClN3O5S

Mass

417.82

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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 - Anilide - 1,3-benzothiazole - N-arylamide - Nitroaromatic compound - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Azole - Enoate ester - Thiazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organochloride - 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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