2-methylsulfanyl-2-phenyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]butanedioic acid

Systemtic Name: 2-methylsulfanyl-2-phenyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]butanedioic acid Openeye Name: 2-methylsulfanyl-2-phenyl-3-[[3-(2-quinolylmethoxy)phenoxy]methyl]butanedioic acid CAS Name: 2-(methylthio)-2-phenyl-3-[[3-(2-quinolinylmethoxy)phenoxy]methyl]butanedioic acid IUPAC Name: 2-methylsulfanyl-2-phenyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]butanedioic acid Traditional Name: 2-(methylthio)-2-phenyl-3-[[3-(2-quinolylmethoxy)phenoxy]methyl]succinic acid Formula: C28H25NO6S MolecularWeight: 503.5662

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=CC=CC=C1)(C(COC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CSC(C1=CC=CC=C1)(C(COC2=CC=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C28H25NO6S/c1-36-28(27(32)33,20-9-3-2-4-10-20)24(26(30)31)18-35-23-12-7-11-22(16-23)34-17-21-15-14-19-8-5-6-13-25(19)29-21/h2-16,24H,17-18H2,1H3,(H,30,31)(H,32,33)