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

Systemtic Name: ethyl 5-cyano-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-(3-pyridylmethylsulfanyl)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(3-pyridinylmethylthio)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(3-pyridylmethylthio)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC3=CN=CC=C3)C

InChI

InChI=1S/C20H19N3O2S2/c1-3-25-20(24)17-13(2)23-19(27-12-14-6-4-8-22-11-14)15(10-21)18(17)16-7-5-9-26-16/h4-9,11,18,23H,3,12H2,1-2H3