(1-butylsulfinyl-3-phenoxy-propan-2-yl) 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (1-butylsulfinyl-3-phenoxy-propan-2-yl) 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-phenoxy-ethyl] 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid (1-butylsulfinyl-3-phenoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-phenoxypropan-2-yl) 2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]acetic acid [1-(butylsulfinylmethyl)-2-phenoxy-ethyl] ester Formula: C34H34N2O5S2 MolecularWeight: 614.77416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCS(=O)CC(COC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N

InChI

InChI=1S/C34H34N2O5S2/c1-3-4-19-43(38)24-29(22-40-28-13-9-6-10-14-28)41-33(37)23-42-34-31(21-35)30(25-11-7-5-8-12-25)20-32(36-34)26-15-17-27(39-2)18-16-26/h5-18,20,29H,3-4,19,22-24H2,1-2H3