ethyl (4R)-5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4R)-5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4R)-5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-2-methyl-6-(prop-2-ynylthio)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-2-methyl-6-(propargylthio)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC#C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CS2)C#N)SCC#C)C

InChI

InChI=1S/C17H16N2O2S2/c1-4-8-23-16-12(10-18)15(13-7-6-9-22-13)14(11(3)19-16)17(20)21-5-2/h1,6-7,9,15,19H,5,8H2,2-3H3/t15-/m1/s1