Structure Information
Structure

Compound Identification

SMILES

Br.COC(=O)C(\CSC(N)=NC1=CC=CC=C1)=C\C1=CC=C(Cl)C=C1

InChIKey

InChIKey=SUZMBDCOCKSLDZ-JHGYPSGKSA-N

Formula

C18H18BrClN2O2S

Mass

441.77

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Cinnamic acid ester - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Isothiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.

External Descriptors

Not available

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