methyl 3-[[2-(1-benzofuran-2-yl)-4-butylsulfanyl-quinolin-3-yl]methylsulfanyl]propanoate

Systemtic Name: methyl 3-[[2-(1-benzofuran-2-yl)-4-butylsulfanyl-quinolin-3-yl]methylsulfanyl]propanoate Openeye Name: methyl 3-[[2-(benzofuran-2-yl)-4-butylsulfanyl-3-quinolyl]methylsulfanyl]propanoate CAS Name: 3-[[2-(2-benzofuranyl)-4-(butylthio)-3-quinolinyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-benzofuran-2-yl)-4-butylsulfanylquinolin-3-yl]methylsulfanyl]propanoate Traditional Name: 3-[[2-(benzofuran-2-yl)-4-(butylthio)-3-quinolyl]methylthio]propionic acid methyl ester Formula: C26H27NO3S2 MolecularWeight: 465.62748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=NC2=CC=CC=C21)C3=CC4=CC=CC=C4O3)CSCCC(=O)OC

Isomeric SMILES

CCCCSC1=C(C(=NC2=CC=CC=C21)C3=CC4=CC=CC=C4O3)CSCCC(=O)OC

InChI

InChI=1S/C26H27NO3S2/c1-3-4-14-32-26-19-10-6-7-11-21(19)27-25(20(26)17-31-15-13-24(28)29-2)23-16-18-9-5-8-12-22(18)30-23/h5-12,16H,3-4,13-15,17H2,1-2H3