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

Systemtic Name: (1-butylsulfinyl-3-methoxy-propan-2-yl) 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-methoxy-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-methoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-methoxypropan-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-methoxy-ethyl] ester Formula: C29H32N2O5S2 MolecularWeight: 552.70478

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32N2O5S2/c1-4-5-15-38(33)20-24(18-34-2)36-28(32)19-37-29-26(17-30)25(21-9-7-6-8-10-21)16-27(31-29)22-11-13-23(35-3)14-12-22/h6-14,16,24H,4-5,15,18-20H2,1-3H3