dimethyl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanedioate

Systemtic Name: dimethyl 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanedioate Openeye Name: dimethyl 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanedioate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanedioate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]malonic acid dimethyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O4S/c1-28-22(26)20(23(27)29-2)30-21-18(14-24)17(15-9-5-3-6-10-15)13-19(25-21)16-11-7-4-8-12-16/h3-13,20H,1-2H3