[4-ethyl-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-3-phenylsulfanyl-pyridin-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-ethyl-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-3-phenylsulfanyl-pyridin-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-(4-benzyloxyphenyl)-4-ethyl-2-oxo-3-phenylsulfanyl-1-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-ethyl-2-oxo-6-(4-phenylmethoxyphenyl)-3-(phenylthio)-1-pyridinyl] ester IUPAC Name: [4-ethyl-2-oxo-6-(4-phenylmethoxyphenyl)-3-phenylsulfanylpyridin-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-(4-benzoxyphenyl)-4-ethyl-2-keto-3-(phenylthio)-1-pyridyl] ester Formula: C27H22F3NO5S2 MolecularWeight: 561.59249

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)SC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)N(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)SC4=CC=CC=C4

InChI

InChI=1S/C27H22F3NO5S2/c1-2-20-17-24(21-13-15-22(16-14-21)35-18-19-9-5-3-6-10-19)31(36-38(33,34)27(28,29)30)26(32)25(20)37-23-11-7-4-8-12-23/h3-17H,2,18H2,1H3