Structure Information
Structure

Compound Identification

SMILES

COC1=NC2=C(NC(SC(CC(O)=O)C(=O)C3=CC=C(Cl)C=C3)=N2)C2=CC=CC=C12

InChIKey

InChIKey=FIMCGCGPBJCJMH-UHFFFAOYSA-N

Formula

C21H16ClN3O4S

Mass

441.89

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Isoquinoline - Imidazopyridine - Aryl thioether - Gamma-keto acid - Aryl alkyl ketone - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Thia fatty acid - Alkylarylthioether - Aryl chloride - Keto acid - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridine - Fatty acyl - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organosulfur compound - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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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