Structure Information
Structure

Compound Identification

SMILES

C[C@H](CC(=O)N1CCSC1=S)C(C(=O)CC1=CC=CC=C1)C(=O)OC(C)(C)C

InChIKey

InChIKey=JIWPHHIRAGEKIM-IKJXHCRLSA-N

Formula

C21H27NO4S2

Mass

421.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Beta-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta-keto acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Thiazolidinethione - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.

External Descriptors

Not available

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