Structure Information
Structure

Compound Identification

SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)COCC1=NC2=CC=CC=C2S1

InChIKey

InChIKey=VLAJEFWEJOEUCD-UHFFFAOYSA-N

Formula

C21H20N2O5S

Mass

412.46

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - 1,3-benzothiazole - Benzoyl - Aryl alkyl ketone - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Acetamide - Thiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - 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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