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

Systemtic Name: diethyl 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanedioate Openeye Name: diethyl 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]propanedioate CAS Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanedioate Traditional Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]malonic acid diethyl ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O6S/c1-5-34-26(30)24(27(31)35-6-2)36-25-22(16-28)21(17-7-11-19(32-3)12-8-17)15-23(29-25)18-9-13-20(33-4)14-10-18/h7-15,24H,5-6H2,1-4H3