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benzo[b]thiophene-2-carboxylic acid, 4-[(2-methylpropyl)thio]-6-nitro-3-(1H-pyrrol-1-yl)-, ethyl ester
SpectraBase Compound ID CxXGXPnqIJI
InChI InChI=1S/C19H20N2O4S2/c1-4-25-19(22)18-17(20-7-5-6-8-20)16-14(26-11-12(2)3)9-13(21(23)24)10-15(16)27-18/h5-10,12H,4,11H2,1-3H3
InChIKey YWAFPJAHTUOQMN-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C19H20N2O4S2
Exact Mass 404.086449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BT2S6DcUbrA
Name 4-(2-Methylpropylthio)-6-nitro-3-(1-pyrrolyl)-1-benzothiophene-2-carboxylic acid ethyl ester
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Formula C19H20N2O4S2
InChI InChI=1S/C19H20N2O4S2/c1-4-25-19(22)18-17(20-7-5-6-8-20)16-14(26-11-12(2)3)9-13(21(23)24)10-15(16)27-18/h5-10,12H,4,11H2,1-3H3
InChIKey YWAFPJAHTUOQMN-UHFFFAOYSA-N
Molecular Weight 404.499 g/mol
SMILES c1(c(c2c(cc(N(=O)=O)cc2s1)SCC(C)C)-[n]1cccc1)C(=O)OCC
SPLASH splash10-0udj-4369100000-d822ae02e3e30e3f94eb
Synonyms 4-(isobutylthio)-6-nitro-3-pyrrol-1-yl-benzothiophene-2-carboxylic acid ethyl ester Ethyl 4-(2-methylpropylsulfanyl)-6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Ethyl 4-isobutylsulfanyl-6-nitro-3-pyrrol-1-yl-benzothiophene-2-carboxylate
Wiley ID 1462828