ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[(4-fluorophenyl)methylthio]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[(4-fluorobenzyl)thio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H19FN2O2S2 MolecularWeight: 414.516163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O2S2/c1-3-26-21(25)18-13(2)24-20(28-12-14-6-8-15(22)9-7-14)16(11-23)19(18)17-5-4-10-27-17/h4-10,19,24H,3,12H2,1-2H3