2-[(phenylmethylsulfanyl)-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[(phenylmethylsulfanyl)-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[benzylsulfanyl-[4-(2-quinolylmethoxy)phenyl]methyl]sulfanylacetic acid CAS Name: 2-[[(phenylmethylthio)-[4-(2-quinolinylmethoxy)phenyl]methyl]thio]acetic acid IUPAC Name: 2-[benzylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[(benzylthio)-[4-(2-quinolylmethoxy)phenyl]methyl]thio]acetic acid Formula: C26H23NO3S2 MolecularWeight: 461.59572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO3S2/c28-25(29)18-32-26(31-17-19-6-2-1-3-7-19)21-11-14-23(15-12-21)30-16-22-13-10-20-8-4-5-9-24(20)27-22/h1-15,26H,16-18H2,(H,28,29)