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

Systemtic Name: (1-butylsulfinyl-3-phenylmethoxy-propan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfinyl-ethyl] 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid (1-butylsulfinyl-3-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-phenylmethoxypropan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid [1-(benzoxymethyl)-2-butylsulfinyl-ethyl] ester Formula: C35H36N2O4S2 MolecularWeight: 612.80134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCS(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

InChI

InChI=1S/C35H36N2O4S2/c1-3-4-19-43(39)25-30(23-40-22-27-11-7-5-8-12-27)41-34(38)24-42-35-32(21-36)31(28-13-9-6-10-14-28)20-33(37-35)29-17-15-26(2)16-18-29/h5-18,20,30H,3-4,19,22-25H2,1-2H3