Compound Identification
SMILES
CCOC(=O)C1=C(COCCN)NC(CF)=C(C1C1=CC=C(S1)C#N)C(=O)OC
InChIKey
InChIKey=COXXXNJFQZOKQE-UHFFFAOYSA-N
Formula
C19H22FN3O5S
Mass
423.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
2,5-disubstituted thiophenes Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Amino acids and derivatives Nitriles Azacyclic compounds Dialkyl ethers Enamines Dialkylamines Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - 2,5-disubstituted thiophene - Dicarboxylic acid or derivatives - Thiophene - Heteroaromatic compound - Methyl ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Carbonitrile - Nitrile - Secondary amine - Azacycle - Carbonyl group - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Cyanide - Amine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - 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