[3-(diethylcarbamoyl)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1-benzothiophen-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(diethylcarbamoyl)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1-benzothiophen-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-benzyloxy-2-(4-benzyloxyphenyl)-3-(diethylcarbamoyl)benzothiophen-4-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-[diethylamino(oxo)methyl]-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1-benzothiophen-4-yl] ester IUPAC Name: [3-(diethylcarbamoyl)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1-benzothiophen-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-benzoxy-2-(4-benzoxyphenyl)-3-(diethylcarbamoyl)benzothiophen-4-yl] ester Formula: C34H30F3NO6S2 MolecularWeight: 669.73031

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(SC2=CC(=CC(=C21)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCN(CC)C(=O)C1=C(SC2=CC(=CC(=C21)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C34H30F3NO6S2/c1-3-38(4-2)33(39)31-30-28(44-46(40,41)34(35,36)37)19-27(43-22-24-13-9-6-10-14-24)20-29(30)45-32(31)25-15-17-26(18-16-25)42-21-23-11-7-5-8-12-23/h5-20H,3-4,21-22H2,1-2H3