Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C=C(Br)C=C1C=CC(=O)NC1=NC2=C(S1)C=C(NC(C)=O)C=C2

InChIKey

InChIKey=AXAMGMMWCKOOMN-UHFFFAOYSA-N

Formula

C19H15Br2N3O3S

Mass

525.22

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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

Coumaric acid or derivatives - Cinnamic acid amide - 1,3-benzothiazole - N-acetylarylamine - Phenol ether - Styrene - N-arylamide - Methoxybenzene - Phenoxy compound - Anisole - Bromobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Acetamide - Thiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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