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3-Amino-4-isobutylsulfanyl-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID 4LKzMlGHUD8
InChI InChI=1S/C14H16N2O4S2/c1-7(2)6-21-9-4-8(16(18)19)5-10-11(9)12(15)13(22-10)14(17)20-3/h4-5,7H,6,15H2,1-3H3
InChIKey POZSDOMOSSHYLS-UHFFFAOYSA-N
Mol Weight 340.41 g/mol
Molecular Formula C14H16N2O4S2
Exact Mass 340.055149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7afNnxia0
Name 3-Amino-4-isobutylsulfanyl-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester
Alternate Name(s) 3-Amino-4-(2-methylpropylthio)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester 3-Amino-4-(isobutylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Methyl 3-amino-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Methyl 3-amino-4-(isobutylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Methyl 3-amino-4-isobutylsulfanyl-6-nitro-benzothiophene-2-carboxylate Methyl 3-azanyl-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
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Formula C14H16N2O4S2
InChI InChI=1S/C14H16N2O4S2/c1-7(2)6-21-9-4-8(16(18)19)5-10-11(9)12(15)13(22-10)14(17)20-3/h4-5,7H,6,15H2,1-3H3
InChIKey POZSDOMOSSHYLS-UHFFFAOYSA-N
Molecular Weight 340.412 g/mol
SMILES Nc1c(sc2cc(N(=O)=O)cc(c12)SCC(C)C)C(=O)OC
SPLASH splash10-0k96-7592000000-fc9741c460147457ccb8
Wiley ID 1462827