Structure Information
Structure

Compound Identification

SMILES

COC(=O)C\C(C(=O)OC)=C1\NC2=C(SC=C2)C1=O

InChIKey

InChIKey=NMWPRMCSSTZAHH-TWGQIWQCSA-N

Formula

C12H11NO5S

Mass

281.28

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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

Direct Parent

Aryl ketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl ketone - Fatty acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Thiophene - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.

External Descriptors

Not available

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