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3-(3-nitrophenyl)-3-[[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID 7tyGGsiTihN
InChI InChI=1S/C20H19N3O6S/c1-2-29-19(25)11-15(13-6-5-7-14(10-13)23(27)28)21-18(24)12-22-16-8-3-4-9-17(16)30-20(22)26/h3-10,15H,2,11-12H2,1H3,(H,21,24)
InChIKey FHWDYRZZXLLACH-UHFFFAOYSA-N
Mol Weight 429.45 g/mol
Molecular Formula C20H19N3O6S
Exact Mass 429.099457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqmQAyGkTWY
Name 3-(3-nitrophenyl)-3-[[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]amino]propanoic acid ethyl ester
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Formula C20H19N3O6S
InChI InChI=1S/C20H19N3O6S/c1-2-29-19(25)11-15(13-6-5-7-14(10-13)23(27)28)21-18(24)12-22-16-8-3-4-9-17(16)30-20(22)26/h3-10,15H,2,11-12H2,1H3,(H,21,24)
InChIKey FHWDYRZZXLLACH-UHFFFAOYSA-N
Molecular Weight 429.447 g/mol
SMILES N(C(CC(=O)OCC)c1cc(N(=O)=O)ccc1)C(CN1C(Sc2c1cccc2)=O)=O
SPLASH splash10-00kr-3900000000-75348234fb98b150ef5d
Synonyms 3-[[2-(2-keto-1,3-benzothiazol-3-yl)acetyl]amino]-3-(3-nitrophenyl)propionic acid ethyl ester Ethyl 3-(3-nitrophenyl)-3-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoylamino]propanoate Ethyl 3-(3-nitrophenyl)-3-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]propanoate Ethyl 3-(3-nitrophenyl)-3-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}propanoate
Wiley ID 1512361