Structure Information
Structure

Compound Identification

SMILES

CSC1=C(C#N)C(=CC(=N1)C1CC1)C(=O)OCC(=O)C1=CC2=C(OCC2)C=C1

InChIKey

InChIKey=SGHBNUQROUDUOI-UHFFFAOYSA-N

Formula

C21H18N2O4S

Mass

394.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Pyridinecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyridinecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyridine carboxylic acid - Coumaran - Aryl thioether - Aryl ketone - Aryl alkyl ketone - 3-pyridinecarbonitrile - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Oxacycle - Ether - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.

External Descriptors

Not available

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