sodium 2-[1-[[1-[2-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[3-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate

Systemtic Name: sodium 2-[1-[[1-[2-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[3-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate Openeye Name: sodium 2-[1-[[1-[2-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[3-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate CAS Name: sodium 2-[1-[[[1-[2-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[3-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetate IUPAC Name: sodium 2-[1-[[1-[2-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[3-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate Traditional Name: sodium 2-[1-[[[1-[2-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[3-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetate Formula: C35H35ClNNaO3S MolecularWeight: 608.16507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC(=C1)CCC(C2=CC=CC=C2C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C)(C1=CC=CC(=C1)CCC(C2=CC=CC=C2/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]

InChI

InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)27-8-5-6-24(20-27)10-17-32(41-23-35(18-19-35)22-33(38)39)30-9-4-3-7-25(30)12-15-29-16-13-26-11-14-28(36)21-31(26)37-29;/h3-9,11-16,20-21,32,40H,10,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-12+;