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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S2/c1-4-8-23-16-15(17(20)21-5-2)14(13-7-6-9-22-13)12(10-18)11(3)19-16/h1,6-7,9,14,19H,5,8H2,2-3H3/t14-/m0/s1