Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(\C=C\C(=O)OCC2=CSC(=N2)C2=CC=CC=C2)=C1

InChIKey

InChIKey=DNGDWIKUBACEMO-ZHACJKMWSA-N

Formula

C20H17NO3S

Mass

351.42

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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 heteromonocyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid ester - Anisole - Phenol ether - Styrene - Phenoxy compound - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Azole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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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