2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]ethanone CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]ethanone Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)SC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)SC)O

InChI

InChI=1S/C30H31NO4S/c1-34-27-19-23(9-10-25(27)32)29-30(36-2)24-17-22(8-11-26(24)35-29)18-28(33)31-14-12-21(13-15-31)16-20-6-4-3-5-7-20/h3-11,17,19,21,32H,12-16,18H2,1-2H3