Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)\C=C\C2=CC=C(Br)C=C2)SC=C1C1=CC=C(F)C=C1

InChIKey

InChIKey=CMECKLOVLQQDCT-NYYWCZLTSA-N

Formula

C21H15BrFNO3S

Mass

460.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid amides

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid amides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid amide - Styrene - Thiophene carboxylic acid or derivatives - N-arylamide - Halobenzene - Fluorobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl bromide - Methyl ester - Thiophene - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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