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4-[[2-[1-ethyl-3-[(3-fluorobenzoyl)amino]-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester
SpectraBase Compound ID CU66Cl13ynA
InChI InChI=1S/C22H21FN4O5S/c1-3-26-20(30)17(12-18(28)24-16-9-7-13(8-10-16)21(31)32-2)27(22(26)33)25-19(29)14-5-4-6-15(23)11-14/h4-11,17H,3,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKey AIYASFKSYKARJC-UHFFFAOYSA-N
Mol Weight 472.49 g/mol
Molecular Formula C22H21FN4O5S
Exact Mass 472.121669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rQGkFF2zVe
Name 4-[[2-[1-ethyl-3-[(3-fluorobenzoyl)amino]-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester
Alternate Name(s) 4-[[2-[1-ethyl-3-[[(3-fluorophenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester Methyl 4-[2-[1-ethyl-3-[(3-fluorophenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Methyl 4-[[2-[1-ethyl-3-[(3-fluorobenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Methyl 4-[[2-[1-ethyl-3-[(3-fluorobenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
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Formula C22H21FN4O5S
InChI InChI=1S/C22H21FN4O5S/c1-3-26-20(30)17(12-18(28)24-16-9-7-13(8-10-16)21(31)32-2)27(22(26)33)25-19(29)14-5-4-6-15(23)11-14/h4-11,17H,3,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKey AIYASFKSYKARJC-UHFFFAOYSA-N
Molecular Weight 472.491 g/mol
SMILES N(C(CC1C(N(C(N1NC(c1cc(F)ccc1)=O)=S)CC)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-05fr-6900000000-5a43cce96980834b2ed9
Wiley ID 1443604