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

Systemtic Name: 2-[[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]thiophen-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[3,4-bis[4-(2-quinolylmethoxy)phenyl]-2-thienyl]methylsulfanyl]propanoic acid CAS Name: 2-[[3,4-bis[4-(2-quinolinylmethoxy)phenyl]-2-thiophenyl]methylthio]propanoic acid IUPAC Name: 2-[[3,4-bis[4-(quinolin-2-ylmethoxy)phenyl]thiophen-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[3,4-bis[4-(2-quinolylmethoxy)phenyl]-2-thienyl]methylthio]propionic acid Formula: C40H32N2O4S2 MolecularWeight: 668.82308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C(=CS1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

Isomeric SMILES

CC(C(=O)O)SCC1=C(C(=CS1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C40H32N2O4S2/c1-26(40(43)44)47-25-38-39(30-14-20-34(21-15-30)46-23-32-17-11-29-7-3-5-9-37(29)42-32)35(24-48-38)27-12-18-33(19-13-27)45-22-31-16-10-28-6-2-4-8-36(28)41-31/h2-21,24,26H,22-23,25H2,1H3,(H,43,44)