ethyl 5-cyano-4-(furan-2-yl)-6-phenacylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(furan-2-yl)-6-phenacylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(2-furyl)-6-phenacylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(2-furanyl)-6-(phenacylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(furan-2-yl)-6-phenacylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(2-furyl)-6-(phenacylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O4S/c1-2-32-27(31)24-23(22-14-9-15-33-22)20(16-28)26(29-25(24)19-12-7-4-8-13-19)34-17-21(30)18-10-5-3-6-11-18/h3-15,23,29H,2,17H2,1H3