Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(C2=CC=CC=C2[N+]([O-])=O)C(C(=O)OCC2CCCCO2)=C(C)N1)C(=O)OCCCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChIKey

InChIKey=YICHFVAUWLREGW-UHFFFAOYSA-N

Formula

C31H33N3O10S

Mass

639.68

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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

1,2-benzothiazole - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - Oxane - Benzenoid - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Oxacycle - Dialkyl ether - Ether - Enamine - Secondary aliphatic amine - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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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