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

Systemtic Name: ethyl 5-cyano-2-methyl-4-phenyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-4-phenyl-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-4-phenyl-6-(3-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-4-phenyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-4-phenyl-6-(3-pyridylmethylthio)-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=C2)C#N)SCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SCC3=CN=CC=C3)C

InChI

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