diethyl 1-[(4-fluorophenyl)methyl]-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1-[(4-fluorophenyl)methyl]-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-[(4-fluorophenyl)methyl]-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[(4-fluorophenyl)methyl]-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(4-fluorobenzyl)-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H26FNO4S MolecularWeight: 455.541643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)SC)C(=O)OCC)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)SC)C(=O)OCC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FNO4S/c1-4-30-24(28)21-15-27(14-17-6-10-19(26)11-7-17)16-22(25(29)31-5-2)23(21)18-8-12-20(32-3)13-9-18/h6-13,15-16,23H,4-5,14H2,1-3H3