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3-Amino-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID uOh5RChOwY
InChI InChI=1S/C17H14N2O4S2/c1-2-23-17(20)16-15(18)14-12(24-11-6-4-3-5-7-11)8-10(19(21)22)9-13(14)25-16/h3-9H,2,18H2,1H3
InChIKey LPZVWZGDPOEGFC-UHFFFAOYSA-N
Mol Weight 374.43 g/mol
Molecular Formula C17H14N2O4S2
Exact Mass 374.039499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YSjzl3SclW
Name 3-Amino-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid ethyl ester
Alternate Name(s) 3-Amino-6-nitro-4-(phenylthio)benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-amino-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Ethyl 3-amino-6-nitro-4-phenylsulfanyl-benzothiophene-2-carboxylate Ethyl 3-azanyl-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate
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Formula C17H14N2O4S2
InChI InChI=1S/C17H14N2O4S2/c1-2-23-17(20)16-15(18)14-12(24-11-6-4-3-5-7-11)8-10(19(21)22)9-13(14)25-16/h3-9H,2,18H2,1H3
InChIKey LPZVWZGDPOEGFC-UHFFFAOYSA-N
Molecular Weight 374.429 g/mol
SMILES Nc1c(sc2cc(N(=O)=O)cc(c12)Sc1ccccc1)C(=O)OCC
SPLASH splash10-00e9-0395000000-815a990fed27a29f745e
Wiley ID 1452513