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3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(3-nitrophenyl)propanoic acid ethyl ester
SpectraBase Compound ID 6u0AoLdQG4Z
InChI InChI=1S/C17H16N4O6S2/c1-2-27-16(22)10-14(11-5-3-6-12(9-11)21(23)24)20-29(25,26)15-8-4-7-13-17(15)19-28-18-13/h3-9,14,20H,2,10H2,1H3
InChIKey PFFXZYLXISIBFW-UHFFFAOYSA-N
Mol Weight 436.46 g/mol
Molecular Formula C17H16N4O6S2
Exact Mass 436.051127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwpgIgL3pnS
Name 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(3-nitrophenyl)propanoic acid ethyl ester
Alternate Name(s) 3-(3-nitrophenyl)-3-(piazthiol-4-ylsulfonylamino)propionic acid ethyl ester Ethyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(3-nitrophenyl)propanoate
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Formula C17H16N4O6S2
InChI InChI=1S/C17H16N4O6S2/c1-2-27-16(22)10-14(11-5-3-6-12(9-11)21(23)24)20-29(25,26)15-8-4-7-13-17(15)19-28-18-13/h3-9,14,20H,2,10H2,1H3
InChIKey PFFXZYLXISIBFW-UHFFFAOYSA-N
Molecular Weight 436.457 g/mol
SMILES N(S(c1c2nsnc2ccc1)(=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-000i-5950000000-5fbd8d4193b815316643
Wiley ID 1442351