[1-(4-tert-butylphenoxy)-3-butylsulfonyl-propan-2-yl] 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfonyl-propan-2-yl] 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-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-(4-tert-butylphenoxy)-3-butylsulfonylpropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-butylsulfonylpropan-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-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] ester Formula: C37H39BrN2O5S2 MolecularWeight: 735.74996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCS(=O)(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C37H39BrN2O5S2/c1-5-6-20-47(42,43)25-31(23-44-30-18-14-28(15-19-30)37(2,3)4)45-35(41)24-46-36-33(22-39)32(26-10-8-7-9-11-26)21-34(40-36)27-12-16-29(38)17-13-27/h7-19,21,31H,5-6,20,23-25H2,1-4H3