methyl 2-methoxy-7-[3-(5-oxidanyl-2-phenethyl-3H-1-benzofuran-2-yl)propylsulfanyl]quinoline-3-carboxylate

Systemtic Name: methyl 2-methoxy-7-[3-(5-oxidanyl-2-phenethyl-3H-1-benzofuran-2-yl)propylsulfanyl]quinoline-3-carboxylate Openeye Name: methyl 7-[3-(5-hydroxy-2-phenethyl-3H-benzofuran-2-yl)propylsulfanyl]-2-methoxy-quinoline-3-carboxylate CAS Name: 7-[3-(5-hydroxy-2-phenethyl-3H-benzofuran-2-yl)propylthio]-2-methoxy-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-[3-(5-hydroxy-2-phenethyl-3H-1-benzofuran-2-yl)propylsulfanyl]-2-methoxyquinoline-3-carboxylate Traditional Name: 7-[3-(5-hydroxy-2-phenethyl-coumaran-2-yl)propylthio]-2-methoxy-quinoline-3-carboxylic acid methyl ester Formula: C31H31NO5S MolecularWeight: 529.64654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC(=CC2=N1)SCCCC3(CC4=C(O3)C=CC(=C4)O)CCC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C=CC(=CC2=N1)SCCCC3(CC4=C(O3)C=CC(=C4)O)CCC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C31H31NO5S/c1-35-29-26(30(34)36-2)18-22-9-11-25(19-27(22)32-29)38-16-6-14-31(15-13-21-7-4-3-5-8-21)20-23-17-24(33)10-12-28(23)37-31/h3-5,7-12,17-19,33H,6,13-16,20H2,1-2H3