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

Systemtic Name: (1-butylsulfinyl-3-phenylmethoxy-propan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfinyl-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-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-phenylmethoxypropan-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-(benzoxymethyl)-2-butylsulfinyl-ethyl] ester Formula: C34H33BrN2O4S2 MolecularWeight: 677.67082

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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)Br)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)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C34H33BrN2O4S2/c1-2-3-18-43(39)24-29(22-40-21-25-10-6-4-7-11-25)41-33(38)23-42-34-31(20-36)30(26-12-8-5-9-13-26)19-32(37-34)27-14-16-28(35)17-15-27/h4-17,19,29H,2-3,18,21-24H2,1H3