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

Systemtic Name: methyl 3-[(2-quinolin-2-yl-1-benzofuran-3-yl)methylsulfanyl]propanoate Openeye Name: methyl 3-[[2-(2-quinolyl)benzofuran-3-yl]methylsulfanyl]propanoate CAS Name: 3-[[2-(2-quinolinyl)-3-benzofuranyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-quinolin-2-yl-1-benzofuran-3-yl)methylsulfanyl]propanoate Traditional Name: 3-[[2-(2-quinolyl)benzofuran-3-yl]methylthio]propionic acid methyl ester Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=C(OC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)CCSCC1=C(OC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19NO3S/c1-25-21(24)12-13-27-14-17-16-7-3-5-9-20(16)26-22(17)19-11-10-15-6-2-4-8-18(15)23-19/h2-11H,12-14H2,1H3