ethyl 5-cyano-6-methyl-4-pyridin-2-yl-2-(pyridin-4-ylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-4-pyridin-2-yl-2-(pyridin-4-ylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-4-(2-pyridyl)-2-(4-pyridylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-4-(2-pyridinyl)-2-(pyridin-4-ylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-4-pyridin-2-yl-2-(pyridin-4-ylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-4-(2-pyridyl)-2-(4-pyridylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)C#N)C)CS(=O)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)C#N)C)CS(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H20N4O3S/c1-3-28-21(26)20-18(13-29(27)15-7-10-23-11-8-15)25-14(2)16(12-22)19(20)17-6-4-5-9-24-17/h4-11,19,25H,3,13H2,1-2H3