Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(NC2=NC(=CS2)C(=O)OCC(=O)C2=CC(Cl)=CC=C2)C=C1

InChIKey

InChIKey=GMUSUNZVGPUSQM-UHFFFAOYSA-N

Formula

C20H17ClN2O3S

Mass

400.88

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Benzoyl - Thiazolecarboxylic acid or derivatives - Aryl alkyl ketone - Aniline or substituted anilines - Xylene - O-xylene - Halobenzene - Chlorobenzene - 2,4-disubstituted 1,3-thiazole - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Azole - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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