ethyl 5-cyano-6-[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(2-isobutoxy-2-oxo-ethyl)sulfanyl-2-phenyl-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(2-methylpropoxy)-2-oxoethyl]thio]-2-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(2-methylpropoxy)-2-oxoethyl]sulfanyl-2-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-isobutoxy-2-keto-ethyl)thio]-2-phenyl-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C#N)SCC(=O)OCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C#N)SCC(=O)OCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c1-4-32-26(31)23-22(18-10-12-28-13-11-18)20(14-27)25(34-16-21(30)33-15-17(2)3)29-24(23)19-8-6-5-7-9-19/h5-13,17,22,29H,4,15-16H2,1-3H3