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4H-Thieno[2,3-c]azepine-2-carboxylic acid, 5,6,7,8-tetrahydro-3-acetylamino-8-oxo-, ethyl ester
SpectraBase Compound ID AT3LwntnOZl
InChI InChI=1S/C13H16N2O4S/c1-3-19-13(18)11-9(15-7(2)16)8-5-4-6-14-12(17)10(8)20-11/h3-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKey RCUJAKSLHZXOKH-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C13H16N2O4S
Exact Mass 296.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JadvOqUJ2EJ
Name 4H-Thieno[2,3-c]azepine-2-carboxylic acid, 5,6,7,8-tetrahydro-3-acetylamino-8-oxo-, ethyl ester
Alternate Name(s) 3-Acetamido-8-keto-4,5,6,7-tetrahydrothien[2,3-c]azepine-2-carboxylic acid ethyl ester 3-Acetamido-8-oxo-4,5,6,7-tetrahydrothieno[2,3-c]azepine-2-carboxylic acid ethyl ester Ethyl 3-(acetylamino)-8-oxo-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-2-carboxylate Ethyl 3-acetamido-8-oxidanylidene-4,5,6,7-tetrahydrothieno[2,3-c]azepine-2-carboxylate Ethyl 3-acetamido-8-oxo-4,5,6,7-tetrahydrothieno[2,3-c]azepine-2-carboxylate
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Formula C13H16N2O4S
InChI InChI=1S/C13H16N2O4S/c1-3-19-13(18)11-9(15-7(2)16)8-5-4-6-14-12(17)10(8)20-11/h3-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKey RCUJAKSLHZXOKH-UHFFFAOYSA-N
Molecular Weight 296.341 g/mol
SMILES N1CCCc2c(sc(c2NC(=O)C)C(=O)OCC)C1=O
SPLASH splash10-0006-9540000000-1d530439a996d19c8947
Source of Spectrum AD-0-2532-0
Wiley ID 1421188