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3-Acetylamino-4-isobutylsulfanyl-6-nitro-benzo[b]thiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID 3SKF7pkZXfx
InChI InChI=1S/C17H20N2O5S2/c1-5-24-17(21)16-15(18-10(4)20)14-12(25-8-9(2)3)6-11(19(22)23)7-13(14)26-16/h6-7,9H,5,8H2,1-4H3,(H,18,20)
InChIKey RIPZRJFTUHMCMW-UHFFFAOYSA-N
Mol Weight 396.48 g/mol
Molecular Formula C17H20N2O5S2
Exact Mass 396.081364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z6WS3jiEuC
Name 3-Acetylamino-4-isobutylsulfanyl-6-nitro-benzo[b]thiophene-2-carboxylic acid ethyl ester
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Formula C17H20N2O5S2
InChI InChI=1S/C17H20N2O5S2/c1-5-24-17(21)16-15(18-10(4)20)14-12(25-8-9(2)3)6-11(19(22)23)7-13(14)26-16/h6-7,9H,5,8H2,1-4H3,(H,18,20)
InChIKey RIPZRJFTUHMCMW-UHFFFAOYSA-N
Molecular Weight 396.476 g/mol
SMILES N(c1c(sc2cc(N(=O)=O)cc(c12)SCC(C)C)C(=O)OCC)C(=O)C
SPLASH splash10-0udi-0294000000-53aa9399e21f0335d092
Synonyms 3-Acetamido-4-(2-methylpropylthio)-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester 3-Acetamido-4-(isobutylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-(acetylamino)-4-(isobutylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-4-isobutylsulfanyl-6-nitro-benzothiophene-2-carboxylate
Wiley ID 1462255