2-[1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[1,1-bis[4-(2-quinolylmethoxy)phenyl]ethylsulfanyl]acetic acid CAS Name: 2-[1,1-bis[4-(2-quinolinylmethoxy)phenyl]ethylthio]acetic acid IUPAC Name: 2-[1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethylsulfanyl]acetic acid Traditional Name: 2-[1,1-bis[4-(2-quinolylmethoxy)phenyl]ethylthio]acetic acid Formula: C36H30N2O4S MolecularWeight: 586.6994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)SCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)(C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)SCC(=O)O

InChI

InChI=1S/C36H30N2O4S/c1-36(43-24-35(39)40,27-12-18-31(19-13-27)41-22-29-16-10-25-6-2-4-8-33(25)37-29)28-14-20-32(21-15-28)42-23-30-17-11-26-7-3-5-9-34(26)38-30/h2-21H,22-24H2,1H3,(H,39,40)