Structure Information
Structure

Compound Identification

SMILES

CSC1=NN2C(=N1)N=C(C)C=C2OCC1CN(CCO1)C(=O)C=CC1=CC(OC(F)(F)F)=CC=C1

InChIKey

InChIKey=NEJHFAQTMMPVIP-UHFFFAOYSA-N

Formula

C22H22F3N5O4S

Mass

509.5

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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

Coumaric acid or derivatives - Triazolopyrimidine - Phenoxy compound - Aryl thioether - Styrene - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Oxazinane - Morpholine - Triazole - Azole - 1,2,4-triazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Trihalomethane - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Halomethane - 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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