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4-[[2-[3-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID IJeLWj32iig
InChI InChI=1S/C29H28FN3O5S/c1-3-38-28(36)20-6-10-22(11-7-20)31-26(34)18-25-27(35)33(23-12-14-24(37-2)15-13-23)29(39)32(25)17-16-19-4-8-21(30)9-5-19/h4-15,25H,3,16-18H2,1-2H3,(H,31,34)
InChIKey ILWBXHCILIYYFL-UHFFFAOYSA-N
Mol Weight 549.62 g/mol
Molecular Formula C29H28FN3O5S
Exact Mass 549.17337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExQgP9b0WZP
Name 4-[[2-[3-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester
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Formula C29H28FN3O5S
InChI InChI=1S/C29H28FN3O5S/c1-3-38-28(36)20-6-10-22(11-7-20)31-26(34)18-25-27(35)33(23-12-14-24(37-2)15-13-23)29(39)32(25)17-16-19-4-8-21(30)9-5-19/h4-15,25H,3,16-18H2,1-2H3,(H,31,34)
InChIKey ILWBXHCILIYYFL-UHFFFAOYSA-N
Molecular Weight 549.617 g/mol
SMILES N(C(CC1C(N(C(N1CCc1ccc(cc1)F)=S)c1ccc(cc1)OC)=O)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-00ei-5930000000-2c4fc7b04f56afd35b0e
Synonyms 4-[[2-[3-[2-(4-fluorophenyl)ethyl]-5-keto-1-(4-methoxyphenyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[3-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Ethyl 4-[[2-[3-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Ethyl 4-[[2-[3-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Wiley ID 1442476