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3-Acetamido-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID JqFdUPZgdRY
InChI InChI=1S/C19H16N2O5S2/c1-3-26-19(23)18-17(20-11(2)22)16-14(27-13-7-5-4-6-8-13)9-12(21(24)25)10-15(16)28-18/h4-10H,3H2,1-2H3,(H,20,22)
InChIKey KAWZYQJKVRCKAE-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C19H16N2O5S2
Exact Mass 416.050064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnmOCHAmdob
Name 3-Acetamido-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid ethyl ester
Alternate Name(s) 3-Acetamido-6-nitro-4-(phenylthio)benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-(acetylamino)-6-nitro-4-(phenylsulfanyl)-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-6-nitro-4-phenylsulfanyl-benzothiophene-2-carboxylate
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Formula C19H16N2O5S2
InChI InChI=1S/C19H16N2O5S2/c1-3-26-19(23)18-17(20-11(2)22)16-14(27-13-7-5-4-6-8-13)9-12(21(24)25)10-15(16)28-18/h4-10H,3H2,1-2H3,(H,20,22)
InChIKey KAWZYQJKVRCKAE-UHFFFAOYSA-N
Molecular Weight 416.466 g/mol
SMILES N(c1c(sc2cc(N(=O)=O)cc(c12)Sc1ccccc1)C(=O)OCC)C(=O)C
SPLASH splash10-0006-9353000000-0e1b98d40c7efa66be6a
Wiley ID 1462830