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

Systemtic Name: methyl 2-methoxy-7-[3-(2-phenethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]quinoline-3-carboxylate Openeye Name: methyl 7-[3-(5-benzyloxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propylsulfanyl]-2-methoxy-quinoline-3-carboxylate CAS Name: 2-methoxy-7-[3-(2-phenethyl-5-phenylmethoxy-2,3-dihydrobenzofuran-6-yl)propylthio]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-methoxy-7-[3-(2-phenethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)propylsulfanyl]quinoline-3-carboxylate Traditional Name: 7-[3-(5-benzoxy-2-phenethyl-coumaran-6-yl)propylthio]-2-methoxy-quinoline-3-carboxylic acid methyl ester Formula: C38H37NO5S MolecularWeight: 619.76908

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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)OCC6=CC=CC=C6)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C=CC(=CC2=N1)SCCCC3=C(C=C4CC(OC4=C3)CCC5=CC=CC=C5)OCC6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C38H37NO5S/c1-41-37-33(38(40)42-2)21-28-16-18-32(24-34(28)39-37)45-19-9-14-29-22-36-30(23-35(29)43-25-27-12-7-4-8-13-27)20-31(44-36)17-15-26-10-5-3-6-11-26/h3-8,10-13,16,18,21-24,31H,9,14-15,17,19-20,25H2,1-2H3