ethyl (4S)-5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-tert-butoxy-2-keto-ethyl)thio]-5-cyano-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)SCC(=O)OC(C)(C)C)C#N)C2=CC=CS2

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)SCC(=O)OC(C)(C)C)C#N)C2=CC=CS2

InChI

InChI=1S/C20H24N2O4S2/c1-6-25-19(24)16-12(2)22-18(28-11-15(23)26-20(3,4)5)13(10-21)17(16)14-8-7-9-27-14/h7-9,16-17H,6,11H2,1-5H3/t16?,17-/m0/s1