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4-[[2-[1-ethyl-3-[[(3-methoxyphenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID 6CGvUnSjAzi
InChI InChI=1S/C24H26N4O6S/c1-4-27-22(31)19(14-20(29)25-17-11-9-15(10-12-17)23(32)34-5-2)28(24(27)35)26-21(30)16-7-6-8-18(13-16)33-3/h6-13,19H,4-5,14H2,1-3H3,(H,25,29)(H,26,30)
InChIKey KSJJYNXARLEWSS-UHFFFAOYSA-N
Mol Weight 498.55 g/mol
Molecular Formula C24H26N4O6S
Exact Mass 498.157306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Pf6gLNfttB
Name 4-[[2-[1-ethyl-3-[[(3-methoxyphenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester
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Formula C24H26N4O6S
InChI InChI=1S/C24H26N4O6S/c1-4-27-22(31)19(14-20(29)25-17-11-9-15(10-12-17)23(32)34-5-2)28(24(27)35)26-21(30)16-7-6-8-18(13-16)33-3/h6-13,19H,4-5,14H2,1-3H3,(H,25,29)(H,26,30)
InChIKey KSJJYNXARLEWSS-UHFFFAOYSA-N
Molecular Weight 498.554 g/mol
SMILES N(C(=O)c1cccc(OC)c1)N1C(N(C(C1CC(Nc1ccc(cc1)C(OCC)=O)=O)=O)CC)=S
SPLASH splash10-052r-7900000000-45b07165728a5aadffeb
Synonyms 4-[[2-[1-ethyl-5-keto-3-(m-anisoylamino)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[1-ethyl-3-[(3-methoxyphenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Ethyl 4-[[2-[1-ethyl-3-[(3-methoxybenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Ethyl 4-[[2-[1-ethyl-3-[(3-methoxybenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Wiley ID 1443606