Structure Information
Structure

Compound Identification

SMILES

OC(C(O)C(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C1=NC2=C(S1)C=CC(Cl)=C2

InChIKey

InChIKey=NKAVKFHIYALHRM-UHFFFAOYSA-N

Formula

C23H27ClN2O7S

Mass

510.99

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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

Not available

Substituents

1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Sugar acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Azole - Heteroaromatic compound - Thiazole - 1,2-diol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organochloride - Organonitrogen 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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