sodium 2-[1-[[(1R)-1-[3-[(E)-2-[6,7-bis(fluoranyl)quinolin-2-yl]ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate

Systemtic Name: sodium 2-[1-[[(1R)-1-[3-[(E)-2-[6,7-bis(fluoranyl)quinolin-2-yl]ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate Openeye Name: sodium 2-[1-[[(1R)-1-[3-[(E)-2-(6,7-difluoro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate CAS Name: sodium 2-[1-[[[(1R)-1-[3-[(E)-2-(6,7-difluoro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetate IUPAC Name: sodium 2-[1-[[(1R)-1-[3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate Traditional Name: sodium 2-[1-[[[(1R)-1-[3-[(E)-2-(6,7-difluoro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetate Formula: C35H34F2NNaO3S MolecularWeight: 609.700936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=CC(=C(C=C4C=C3)F)F)SCC5(CC5)CC(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=CC(=C(C=C4C=C3)F)F)SCC5(CC5)CC(=O)[O-])O.[Na+]

InChI

InChI=1S/C35H35F2NO3S.Na/c1-34(2,41)28-9-4-3-7-24(28)12-15-32(42-22-35(16-17-35)21-33(39)40)26-8-5-6-23(18-26)10-13-27-14-11-25-19-29(36)30(37)20-31(25)38-27;/h3-11,13-14,18-20,32,41H,12,15-17,21-22H2,1-2H3,(H,39,40);/q;+1/p-1/b13-10+;/t32-;/m1./s1