Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)C(=CC2=CC=C(OCC3=CC=CC=C3F)C=C2)C#N)SC(C(N)=O)=C1C

InChIKey

InChIKey=CQLSHURGWGFECW-UHFFFAOYSA-N

Formula

C25H20FN3O5S

Mass

493.51

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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 - 2-heteroaryl carboxamide - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Cyanide - Organic oxide - 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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