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4-[[1-oxo-2-[5-oxo-1-(phenylmethyl)-2-sulfanylidene-3-[[4-(trifluoromethoxy)phenyl]methyl]-4-imidazolidinyl]ethyl]amino]benzoic acid methyl ester
SpectraBase Compound ID 61WwKf0PgXz
InChI InChI=1S/C28H24F3N3O5S/c1-38-26(37)20-9-11-21(12-10-20)32-24(35)15-23-25(36)34(17-18-5-3-2-4-6-18)27(40)33(23)16-19-7-13-22(14-8-19)39-28(29,30)31/h2-14,23H,15-17H2,1H3,(H,32,35)
InChIKey ZWUCOTLNRAQMBT-UHFFFAOYSA-N
Mol Weight 571.57 g/mol
Molecular Formula C28H24F3N3O5S
Exact Mass 571.138877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Y4MzB6ZLwu
Name 4-[[1-oxo-2-[5-oxo-1-(phenylmethyl)-2-sulfanylidene-3-[[4-(trifluoromethoxy)phenyl]methyl]-4-imidazolidinyl]ethyl]amino]benzoic acid methyl ester
Alternate Name(s) 4-[[2-[1-benzyl-5-keto-2-thioxo-3-[4-(trifluoromethoxy)benzyl]imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Methyl 4-[2-[5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazolidin-4-yl]ethanoylamino]benzoate Methyl 4-[[2-[1-benzyl-5-oxo-2-sulfanylidene-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-yl]acetyl]amino]benzoate Methyl 4-[[2-[1-benzyl-5-oxo-2-thioxo-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-yl]acetyl]amino]benzoate
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Formula C28H24F3N3O5S
InChI InChI=1S/C28H24F3N3O5S/c1-38-26(37)20-9-11-21(12-10-20)32-24(35)15-23-25(36)34(17-18-5-3-2-4-6-18)27(40)33(23)16-19-7-13-22(14-8-19)39-28(29,30)31/h2-14,23H,15-17H2,1H3,(H,32,35)
InChIKey ZWUCOTLNRAQMBT-UHFFFAOYSA-N
Molecular Weight 571.571 g/mol
SMILES N(C(CC1C(N(C(N1Cc1ccc(cc1)OC(F)(F)F)=S)Cc1ccccc1)=O)=O)c1ccc(cc1)C(OC)=O
SPLASH splash10-002f-7920000000-57cd344d72edc2a3c2e2
Wiley ID 1445750