Structure Information
Structure

Compound Identification

SMILES

[H]OC(=O)CCCN1C=C(CN2\C(SC3=C2C=CC=C3)=C\C2=C([O-])\C(=C/C3=[N+](CC4=CN(CCCC(=O)O[H])N=N4)C4=C(S3)C=CC=C4)\C2=C(C#N)C#N)N=N1

InChIKey

InChIKey=OFCJYMZPYFVHIG-UHFFFAOYSA-N

Formula

C37H30N10O5S2

Mass

758.83

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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

1,3-benzothiazole - 1,2-benzothiazole - Benzo-thiazole - Aryl thioether - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - 1,2,3-triazole - Thiazole - Azole - Ketene acetal or derivatives - Azacycle - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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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