Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(C)(=O)=O)=C1

InChIKey

InChIKey=UKLNIJYWVWQBJZ-UHFFFAOYSA-N

Formula

C18H16N2O4S2

Mass

388.46

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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 - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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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