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Butanoic acid, 4-oxo-4-(8-quinolinylamino)-, 2-oxo-2-(2-thienyl)ethyl ester

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Butanoic acid, 4-oxo-4-(8-quinolinylamino)-, 2-oxo-2-(2-thienyl)ethyl ester
SpectraBase Compound ID BydOKX7zPsC
InChI InChI=1S/C19H16N2O4S/c22-15(16-7-3-11-26-16)12-25-18(24)9-8-17(23)21-14-6-1-4-13-5-2-10-20-19(13)14/h1-7,10-11H,8-9,12H2,(H,21,23)
InChIKey OLXXONOGYGIPRA-UHFFFAOYSA-N
Mol Weight 368.41 g/mol
Molecular Formula C19H16N2O4S
Exact Mass 368.083078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDHAxQc3pK6
Name 2-oxo-2-(Thiophen-2-yl)ethyl 3-[(quinolin-8-yl)carbamoyl]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 368.083078173 u
Formula C19H16N2O4S
InChI InChI=1S/C19H16N2O4S/c22-15(16-7-3-11-26-16)12-25-18(24)9-8-17(23)21-14-6-1-4-13-5-2-10-20-19(13)14/h1-7,10-11H,8-9,12H2,(H,21,23)
InChIKey OLXXONOGYGIPRA-UHFFFAOYSA-N
Molecular Weight 368.407 g/mol
SMILES C=1(C(COC(=O)CCC(NC2=C3N=CC=CC3=CC=C2)=O)=O)SC=CC1