Structure Information
Structure

Compound Identification

SMILES

OC1=CC=CC(C=C(C#N)C(=O)NC2=CC=C(SC(F)F)C=C2)=C1

InChIKey

InChIKey=PHMZMFYKRNWFIC-UHFFFAOYSA-N

Formula

C17H12F2N2O2S

Mass

346.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Cinnamic acid amide - Coumaric acid or derivatives - Anilide - Aryl thioether - N-arylamide - Thiophenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkylarylthioether - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Thioether - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Alkyl halide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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