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2-[[2-(4-benzylpiperidino)-5-nitro-benzoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 7rNtDwUFwM1
InChI InChI=1S/C28H31N3O5S/c1-3-22-18-24(28(33)36-4-2)27(37-22)29-26(32)23-17-21(31(34)35)10-11-25(23)30-14-12-20(13-15-30)16-19-8-6-5-7-9-19/h5-11,17-18,20H,3-4,12-16H2,1-2H3,(H,29,32)
InChIKey IZLOIPJFLQAWKP-UHFFFAOYSA-N
Mol Weight 521.63 g/mol
Molecular Formula C28H31N3O5S
Exact Mass 521.198442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTXVV1Eu83I
Name 2-[[2-(4-benzylpiperidino)-5-nitro-benzoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 5-Ethyl-2-[[[5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester Ethyl 2-[[2-(4-benzyl-1-piperidyl)-5-nitro-benzoyl]amino]-5-ethyl-thiophene-3-carboxylate Ethyl 2-[[2-(4-benzylpiperidin-1-yl)-5-nitrobenzoyl]amino]-5-ethylthiophene-3-carboxylate Ethyl 5-ethyl-2-[[5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]phenyl]carbonylamino]thiophene-3-carboxylate
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Formula C28H31N3O5S
InChI InChI=1S/C28H31N3O5S/c1-3-22-18-24(28(33)36-4-2)27(37-22)29-26(32)23-17-21(31(34)35)10-11-25(23)30-14-12-20(13-15-30)16-19-8-6-5-7-9-19/h5-11,17-18,20H,3-4,12-16H2,1-2H3,(H,29,32)
InChIKey IZLOIPJFLQAWKP-UHFFFAOYSA-N
Molecular Weight 521.632 g/mol
SMILES N(C(c1c(N2CCC(Cc3ccccc3)CC2)ccc(N(=O)=O)c1)=O)c1c(cc(s1)CC)C(=O)OCC
SPLASH splash10-0002-2910000000-fa56bbf6c64b8167298b
Wiley ID 1447114