diethyl 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanedioate

Systemtic Name: diethyl 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanedioate Openeye Name: diethyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanedioate CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanedioate Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]malonic acid diethyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C26H24N2O5S/c1-4-32-25(29)23(26(30)33-5-2)34-24-21(16-27)20(17-11-13-19(31-3)14-12-17)15-22(28-24)18-9-7-6-8-10-18/h6-15,23H,4-5H2,1-3H3