Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)C(=CC2=CC=CC=C2OCC2=CC=CC=C2)C#N)SC2=C1CCCC2

InChIKey

InChIKey=ODOFYPRQCBIROA-UHFFFAOYSA-N

Formula

C28H26N2O4S

Mass

486.59

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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 - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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