Structure Information
Structure

Compound Identification

SMILES

FC(F)OC1=C(C=CC(=O)NC2=NC3=C(S2)C=C(OC2=CC=CC=C2)C=C3)C=C(Br)C=C1

InChIKey

InChIKey=XPGASVYYGFDTKL-UHFFFAOYSA-N

Formula

C23H15BrF2N2O3S

Mass

517.34

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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 heteropolycyclic compounds

Substituents

Cinnamic acid amide - Coumaric acid or derivatives - Diaryl ether - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Styrene - N-arylamide - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic 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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