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

Systemtic Name: (1-butylsulfonyl-3-methoxy-propan-2-yl) 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-methoxy-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-butylsulfonyl-3-methoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-methoxypropan-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-(butylsulfonylmethyl)-2-methoxy-ethyl] ester Formula: C28H29BrN2O5S2 MolecularWeight: 617.57426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN2O5S2/c1-3-4-14-38(33,34)19-23(17-35-2)36-27(32)18-37-28-25(16-30)24(20-8-6-5-7-9-20)15-26(31-28)21-10-12-22(29)13-11-21/h5-13,15,23H,3-4,14,17-19H2,1-2H3