sodium 2-[[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]-3-methylsulfanyl-propanoate

Systemtic Name: sodium 2-[[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]-3-methylsulfanyl-propanoate Openeye Name: sodium 2-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]-3-methylsulfanyl-propanoate CAS Name: sodium 2-[[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]-3-(methylthio)propanoate IUPAC Name: sodium 2-[[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]-3-methylsulfanylpropanoate Traditional Name: sodium 2-[[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]-3-(methylthio)propionate Formula: C33H35ClNNaO4S2 MolecularWeight: 632.20807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1CCC(C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC(CSC)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C)(C1=CC=CC=C1CCC(C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC(CSC)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C33H36ClNO4S2.Na/c1-33(2,38)29-10-5-4-7-22(29)13-16-31(41-21-25(20-40-3)32(36)37)24-8-6-9-28(17-24)39-19-27-15-12-23-11-14-26(34)18-30(23)35-27;/h4-12,14-15,17-18,25,31,38H,13,16,19-21H2,1-3H3,(H,36,37);/q;+1/p-1