methyl 2-methoxy-7-[3-(5-oxidanyl-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]quinoline-3-carboxylate

Systemtic Name: methyl 2-methoxy-7-[3-(5-oxidanyl-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]quinoline-3-carboxylate Openeye Name: methyl 7-[3-(5-hydroxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propylsulfanyl]-2-methoxy-quinoline-3-carboxylate CAS Name: 7-[3-(5-hydroxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propylthio]-2-methoxy-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-[3-(5-hydroxy-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]-2-methoxyquinoline-3-carboxylate Traditional Name: 7-[3-(5-hydroxy-2-phenethyl-coumaran-6-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=C(C=C4CC(OC4=C3)CCC5=CC=CC=C5)O)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C=CC(=CC2=N1)SCCCC3=C(C=C4CC(OC4=C3)CCC5=CC=CC=C5)O)C(=O)OC

InChI

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