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

Systemtic Name: methyl 4-[(2-quinolin-2-yl-1-benzofuran-3-yl)methylsulfanyl]butanoate Openeye Name: methyl 4-[[2-(2-quinolyl)benzofuran-3-yl]methylsulfanyl]butanoate CAS Name: 4-[[2-(2-quinolinyl)-3-benzofuranyl]methylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-quinolin-2-yl-1-benzofuran-3-yl)methylsulfanyl]butanoate Traditional Name: 4-[[2-(2-quinolyl)benzofuran-3-yl]methylthio]butyric acid methyl ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSCC1=C(OC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)CCCSCC1=C(OC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21NO3S/c1-26-22(25)11-6-14-28-15-18-17-8-3-5-10-21(17)27-23(18)20-13-12-16-7-2-4-9-19(16)24-20/h2-5,7-10,12-13H,6,11,14-15H2,1H3