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3-Amino-2-[5-cyano-2-methyl-6-(methylthio)nicotinoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
SpectraBase Compound ID 8nIlSLoEDhs
InChI InChI=1S/C19H16N4O4S2/c1-4-27-19(26)12-6-11-13(21)15(29-18(11)23-16(12)25)14(24)10-5-9(7-20)17(28-3)22-8(10)2/h5-6H,4,21H2,1-3H3,(H,23,25)
InChIKey JOTHZHNQIPOHFM-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C19H16N4O4S2
Exact Mass 428.061297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azi1fAzx2pc
Name 3-Amino-2-[5-cyano-2-methyl-6-(methylthio)nicotinoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
Alternate Name(s) 3-Amino-2-[[5-cyano-2-methyl-6-(methylthio)-3-pyridinyl]-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester Ethyl 3-amino-2-(5-cyano-2-methyl-6-methylsulfanyl-pyridine-3-carbonyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Ethyl 3-azanyl-2-(5-cyano-2-methyl-6-methylsulfanyl-pyridin-3-yl)carbonyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate
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Formula C19H16N4O4S2
InChI InChI=1S/C19H16N4O4S2/c1-4-27-19(26)12-6-11-13(21)15(29-18(11)23-16(12)25)14(24)10-5-9(7-20)17(28-3)22-8(10)2/h5-6H,4,21H2,1-3H3,(H,23,25)
InChIKey JOTHZHNQIPOHFM-UHFFFAOYSA-N
Molecular Weight 428.481 g/mol
SMILES Nc1c(sc2c1cc(c(n2)O)C(OCC)=O)C(c1cc(c(nc1C)SC)C#N)=O
SPLASH splash10-0007-9100000000-29634bb16a4cd579e7ae
Wiley ID 1446962