Structure Information
Structure

Compound Identification

SMILES

CCOC(CC1=CC(F)=C(OCC2=CSC(=N2)C2=CC=C(C=C2)C(F)(F)F)C=C1)C(O)=O

InChIKey

InChIKey=PZQMBUFXYAPMRZ-UHFFFAOYSA-N

Formula

C22H19F4NO4S

Mass

469.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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