Structure Information
Structure

Compound Identification

SMILES

O[C@@H](CC1=CC=CC(=C1)C1=NC2=C(S1)C=CC(Cl)=C2)\C=C\[C@H]1CCC(=O)N1CCSC1=NC(=CS1)C(O)=O

InChIKey

InChIKey=COBKGDMIGLRUQR-CNIPWFDFSA-N

Formula

C27H24ClN3O4S3

Mass

586.14

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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 - Aryl thioether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Secondary alcohol - Carboxamide group - Lactam - Azacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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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