methyl 4-[(5-quinolin-2-yl-1-benzofuran-2-yl)methylsulfanyl]butanoate

Systemtic Name: methyl 4-[(5-quinolin-2-yl-1-benzofuran-2-yl)methylsulfanyl]butanoate Openeye Name: methyl 4-[[5-(2-quinolyl)benzofuran-2-yl]methylsulfanyl]butanoate CAS Name: 4-[[5-(2-quinolinyl)-2-benzofuranyl]methylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-quinolin-2-yl-1-benzofuran-2-yl)methylsulfanyl]butanoate Traditional Name: 4-[[5-(2-quinolyl)benzofuran-2-yl]methylthio]butyric acid methyl ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSCC1=CC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)CCCSCC1=CC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C=C3

InChI

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