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3-Amino-4-(2-hydroxyethylthio)-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID K0kzocU2kiC
InChI InChI=1S/C13H14N2O5S2/c1-2-20-13(17)12-11(14)10-8(21-4-3-16)5-7(15(18)19)6-9(10)22-12/h5-6,16H,2-4,14H2,1H3
InChIKey USUDJWMZZXESJM-UHFFFAOYSA-N
Mol Weight 342.38 g/mol
Molecular Formula C13H14N2O5S2
Exact Mass 342.034414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YxirfpCVDQ
Name 3-Amino-4-(2-hydroxyethylthio)-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester
Alternate Name(s) 3-Amino-4-(2-hydroxyethylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-amino-4-(2-hydroxyethylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Ethyl 3-amino-4-(2-hydroxyethylsulfanyl)-6-nitro-benzothiophene-2-carboxylate Ethyl 3-azanyl-4-(2-hydroxyethylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
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Formula C13H14N2O5S2
InChI InChI=1S/C13H14N2O5S2/c1-2-20-13(17)12-11(14)10-8(21-4-3-16)5-7(15(18)19)6-9(10)22-12/h5-6,16H,2-4,14H2,1H3
InChIKey USUDJWMZZXESJM-UHFFFAOYSA-N
Molecular Weight 342.384 g/mol
SMILES OCCSc1cc(cc2sc(c(c12)N)C(=O)OCC)N(=O)=O
SPLASH splash10-0w2c-0392000000-20dd800faad2cbef33ea
Wiley ID 1453118