Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CS1)C1=CC=C(F)C=C1)C(=O)OC

InChIKey

InChIKey=JNERXSYMDNURPF-UHFFFAOYSA-N

Formula

C21H20FNO4S

Mass

401.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Hydropyridines

Intermediate Tree Nodes

Dihydropyridines

Direct Parent

Dihydropyridinecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dihydropyridinecarboxylic acid derivative - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiophene - Carboxylic acid ester - Enamine - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.

External Descriptors

Not available

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