ethyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-5-cyano-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-5-cyano-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-[2-(difluoromethoxy)phenyl]-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-[2-(difluoromethoxy)phenyl]-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-[2-(difluoromethoxy)phenyl]-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-[2-(difluoromethoxy)phenyl]-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H20F2N2O3S MolecularWeight: 442.478306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C#N)SC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C#N)SC)C3=CC=CC=C3

InChI

InChI=1S/C23H20F2N2O3S/c1-3-29-22(28)19-18(15-11-7-8-12-17(15)30-23(24)25)16(13-26)21(31-2)27-20(19)14-9-5-4-6-10-14/h4-12,18,23,27H,3H2,1-2H3