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5-Acetyl-2-[(1-ketoisochromene-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 9cRjwxdXlWv
InChI InChI=1S/C20H17NO6S/c1-4-26-20(25)15-10(2)16(11(3)22)28-18(15)21-17(23)14-9-12-7-5-6-8-13(12)19(24)27-14/h5-9H,4H2,1-3H3,(H,21,23)
InChIKey ZQCKBTLWYXWRGY-UHFFFAOYSA-N
Mol Weight 399.42 g/mol
Molecular Formula C20H17NO6S
Exact Mass 399.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 322YU5ZimMg
Name 5-Acetyl-2-[(1-ketoisochromene-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 5-Acetyl-4-methyl-2-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester Ethyl 5-acetyl-4-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate Ethyl 5-ethanoyl-4-methyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Thiophene-3-carboxylic acid, 5-acetyl-4-methyl-2-[(1-oxo-1H-isochromene-3-carbonyl)amino]-, ethyl ester
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Formula C20H17NO6S
InChI InChI=1S/C20H17NO6S/c1-4-26-20(25)15-10(2)16(11(3)22)28-18(15)21-17(23)14-9-12-7-5-6-8-13(12)19(24)27-14/h5-9H,4H2,1-3H3,(H,21,23)
InChIKey ZQCKBTLWYXWRGY-UHFFFAOYSA-N
Molecular Weight 399.417 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)C)C(=O)OCC)C(C=1OC(=O)c2c(C1)cccc2)=O
SPLASH splash10-00di-5901000000-f5b2ae1b6ad602dda50d
Wiley ID 1437863