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

Systemtic Name: (1-butylsulfinyl-3-propan-2-yloxy-propan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-isopropoxy-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-propan-2-yloxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-propan-2-yloxypropan-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-(butylsulfinylmethyl)-2-isopropoxy-ethyl] ester Formula: C31H36N2O4S2 MolecularWeight: 564.75854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC(C)C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCS(=O)CC(COC(C)C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C31H36N2O4S2/c1-5-6-16-39(35)21-26(19-36-22(2)3)37-30(34)20-38-31-28(18-32)27(24-10-8-7-9-11-24)17-29(33-31)25-14-12-23(4)13-15-25/h7-15,17,22,26H,5-6,16,19-21H2,1-4H3