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

Systemtic Name: (1-butylsulfinyl-3-propan-2-yloxy-propan-2-yl) 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-isopropoxy-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-propan-2-yloxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-propan-2-yloxypropan-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-isopropoxy-ethyl] ester Formula: C31H36N2O5S2 MolecularWeight: 580.75794

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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)OC)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)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C31H36N2O5S2/c1-5-6-16-40(35)21-26(19-37-22(2)3)38-30(34)20-39-31-28(18-32)27(23-10-8-7-9-11-23)17-29(33-31)24-12-14-25(36-4)15-13-24/h7-15,17,22,26H,5-6,16,19-21H2,1-4H3