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

Systemtic Name: (1-butylsulfinyl-3-propan-2-yloxy-propan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-isopropoxy-ethyl] 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-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-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetic acid [1-(butylsulfinylmethyl)-2-isopropoxy-ethyl] ester Formula: C30H33BrN2O4S2 MolecularWeight: 629.62802

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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)Br)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)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C30H33BrN2O4S2/c1-4-5-15-39(35)20-25(18-36-21(2)3)37-29(34)19-38-30-27(17-32)26(22-9-7-6-8-10-22)16-28(33-30)23-11-13-24(31)14-12-23/h6-14,16,21,25H,4-5,15,18-20H2,1-3H3