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2-[[5-nitro-2-(phenethylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID A6yLtnXi7Xm
InChI InChI=1S/C26H27N3O5S/c1-2-34-26(31)23-19-10-6-7-11-22(19)35-25(23)28-24(30)20-16-18(29(32)33)12-13-21(20)27-15-14-17-8-4-3-5-9-17/h3-5,8-9,12-13,16,27H,2,6-7,10-11,14-15H2,1H3,(H,28,30)
InChIKey ACXSUHJBMNXNDJ-UHFFFAOYSA-N
Mol Weight 493.58 g/mol
Molecular Formula C26H27N3O5S
Exact Mass 493.167142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1V9sK7HBXA
Name 2-[[5-nitro-2-(phenethylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
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Formula C26H27N3O5S
InChI InChI=1S/C26H27N3O5S/c1-2-34-26(31)23-19-10-6-7-11-22(19)35-25(23)28-24(30)20-16-18(29(32)33)12-13-21(20)27-15-14-17-8-4-3-5-9-17/h3-5,8-9,12-13,16,27H,2,6-7,10-11,14-15H2,1H3,(H,28,30)
InChIKey ACXSUHJBMNXNDJ-UHFFFAOYSA-N
Molecular Weight 493.578 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(c1c(ccc(c1)N(=O)=O)NCCc1ccccc1)=O
SPLASH splash10-0a4l-8926100000-c2003dc27eeba1f9a44a
Synonyms Ethyl 2-[[5-nitro-2-(phenethylamino)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 2-[[[5-nitro-2-(2-phenylethylamino)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[5-nitro-2-(2-phenylethylamino)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[5-nitro-2-(2-phenylethylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1454435