2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamide

Systemtic Name: 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamide Openeye Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-[[(2R)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCC3CCCO3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC[C@H]3CCCO3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H27N3O4S/c1-32-24-11-10-19(13-25(24)33-2)21-14-23(18-7-4-3-5-8-18)30-27(22(21)15-28)35-17-26(31)29-16-20-9-6-12-34-20/h3-5,7-8,10-11,13-14,20H,6,9,12,16-17H2,1-2H3,(H,29,31)/t20-/m1/s1