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3-Acetylamino-4-isobutylsulfanyl-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID 6jQDjzi3VCH
InChI InChI=1S/C16H18N2O5S2/c1-8(2)7-24-11-5-10(18(21)22)6-12-13(11)14(17-9(3)19)15(25-12)16(20)23-4/h5-6,8H,7H2,1-4H3,(H,17,19)
InChIKey SZCGKRITYPADFI-UHFFFAOYSA-N
Mol Weight 382.45 g/mol
Molecular Formula C16H18N2O5S2
Exact Mass 382.065714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Dgb1h2LHP9
Name 3-Acetylamino-4-isobutylsulfanyl-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
Alternate Name(s) 3-Acetamido-4-(2-methylpropylthio)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester 3-Acetamido-4-(isobutylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Methyl 3-acetamido-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Methyl 3-acetamido-4-isobutylsulfanyl-6-nitro-benzothiophene-2-carboxylate
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Formula C16H18N2O5S2
InChI InChI=1S/C16H18N2O5S2/c1-8(2)7-24-11-5-10(18(21)22)6-12-13(11)14(17-9(3)19)15(25-12)16(20)23-4/h5-6,8H,7H2,1-4H3,(H,17,19)
InChIKey SZCGKRITYPADFI-UHFFFAOYSA-N
Molecular Weight 382.449 g/mol
SMILES N(c1c(sc2cc(N(=O)=O)cc(c12)SCC(C)C)C(=O)OC)C(=O)C
SPLASH splash10-0006-6393000000-662a12c1a2e1406f1e39
Wiley ID 1465563