Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)C(=CC2=C(OCC#N)C=CC3=CC=CC=C23)C#N)SC(C)=C1C

InChIKey

InChIKey=HIHTYWHDULLNNO-UHFFFAOYSA-N

Formula

C25H21N3O4S

Mass

459.52

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