Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)C(=CC2=CC(OC)=C(O)C=C2)C#N)SC(C)=C1

InChIKey

InChIKey=HMSLYHATGMGDGN-UHFFFAOYSA-N

Formula

C18H16N2O5S

Mass

372.4

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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

Hydroxycinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hydroxycinnamic acid or derivatives - Cinnamic acid amide - Methoxyphenol - Anisole - Phenoxy compound - Methoxybenzene - 2,3,5-trisubstituted thiophene - N-arylamide - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Cyanide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

External Descriptors

Not available

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