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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)SCC2=CC=C(C=C2)F)C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)SCC2=CC=C(C=C2)F)C#N)C3=CC=CS3

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/h4-10,18-19H,3,12H2,1-2H3/t18?,19-/m0/s1