Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)C1=CSC(NC2=CC(C)=C(C)C=C2)=N1

InChIKey

InChIKey=FMTBNWHJEQOYJX-UHFFFAOYSA-N

Formula

C21H20N2O4S

Mass

396.46

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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 - Phenoxy compound - O-xylene - Xylene - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Aryl alkyl ketone - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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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