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5-Ethyl-2-[[2-(4-ethylpiperazino)-5-nitro-benzoyl]amino]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 8BMD4Znwt6x
InChI InChI=1S/C22H28N4O5S/c1-4-16-14-18(22(28)31-6-3)21(32-16)23-20(27)17-13-15(26(29)30)7-8-19(17)25-11-9-24(5-2)10-12-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,27)
InChIKey LNJHQRVTJGHYFR-UHFFFAOYSA-N
Mol Weight 460.55 g/mol
Molecular Formula C22H28N4O5S
Exact Mass 460.178041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIAALCfyLxy
Name 5-Ethyl-2-[[2-(4-ethylpiperazino)-5-nitro-benzoyl]amino]thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 5-Ethyl-2-[[[2-(4-ethyl-1-piperazinyl)-5-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester Ethyl 5-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-5-nitro-benzoyl]amino]thiophene-3-carboxylate Ethyl 5-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-5-nitro-phenyl]carbonylamino]thiophene-3-carboxylate
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Formula C22H28N4O5S
InChI InChI=1S/C22H28N4O5S/c1-4-16-14-18(22(28)31-6-3)21(32-16)23-20(27)17-13-15(26(29)30)7-8-19(17)25-11-9-24(5-2)10-12-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,27)
InChIKey LNJHQRVTJGHYFR-UHFFFAOYSA-N
Molecular Weight 460.549 g/mol
SMILES N(C(c1c(N2CCN(CC2)CC)ccc(N(=O)=O)c1)=O)c1c(cc(s1)CC)C(=O)OCC
SPLASH splash10-001i-9311000000-dd6d5086a3d33c7f1da7
Wiley ID 1447113