prop-2-enyl (4R)-5-cyano-6-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4R)-5-cyano-6-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4R)-5-cyano-6-[2-(ethoxycarbonylamino)-2-oxo-ethyl]sulfanyl-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-6-[[2-(ethoxycarbonylamino)-2-oxoethyl]thio]-2-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-5-cyano-6-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-6-[[2-(carbethoxyamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CN=CC=C2)C#N

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=C([C@@H](C(=C(N1)C)C(=O)OCC=C)C2=CN=CC=C2)C#N

InChI

InChI=1S/C21H22N4O5S/c1-4-9-30-20(27)17-13(3)24-19(31-12-16(26)25-21(28)29-5-2)15(10-22)18(17)14-7-6-8-23-11-14/h4,6-8,11,18,24H,1,5,9,12H2,2-3H3,(H,25,26,28)/t18-/m0/s1