2-[[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]thiophen-2-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]thiophen-2-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[3,4-bis[4-(2-quinolylmethoxy)phenyl]-2-thienyl]methylsulfanyl]benzoic acid CAS Name: 2-[[3,4-bis[4-(2-quinolinylmethoxy)phenyl]-2-thiophenyl]methylthio]benzoic acid IUPAC Name: 2-[[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]thiophen-2-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[3,4-bis[4-(2-quinolylmethoxy)phenyl]-2-thienyl]methylthio]benzoic acid Formula: C44H32N2O4S2 MolecularWeight: 716.86588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=CSC(=C4C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)CSC8=CC=CC=C8C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C4=CSC(=C4C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)CSC8=CC=CC=C8C(=O)O

InChI

InChI=1S/C44H32N2O4S2/c47-44(48)37-9-3-6-12-41(37)52-28-42-43(32-17-23-36(24-18-32)50-26-34-20-14-31-8-2-5-11-40(31)46-34)38(27-51-42)29-15-21-35(22-16-29)49-25-33-19-13-30-7-1-4-10-39(30)45-33/h1-24,27H,25-26,28H2,(H,47,48)