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

Systemtic Name: diethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylpropanedioate Openeye Name: diethyl 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]propanedioate CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanylpropanedioate Traditional Name: 2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]malonic acid diethyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C27H26N2O5S/c1-4-32-20-14-12-19(13-15-20)23-16-21(18-10-8-7-9-11-18)22(17-28)25(29-23)35-24(26(30)33-5-2)27(31)34-6-3/h7-16,24H,4-6H2,1-3H3