Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=CC=C1\C=C(/SC1=NNC(CC)=N1)C([O-])=O

InChIKey

InChIKey=WAQGVPLPGIFEJY-XFXZXTDPSA-M

Formula

C15H16N3O3S

Mass

318.37

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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

Coumaric acids and derivatives

Direct Parent

Coumaric acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid - Coumaric acid - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxylic acid salt - Thioenolether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Sulfenyl compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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