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

Systemtic Name: ethyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-[(phenylthio)methyl]-4-(2-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-(phenylsulfanylmethyl)-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-[(phenylthio)methyl]-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)C#N)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)C#N)C)CSC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-3-27-22(26)21-19(14-28-16-9-5-4-6-10-16)25-15(2)17(13-23)20(21)18-11-7-8-12-24-18/h4-12,20,25H,3,14H2,1-2H3