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methyl 5-(anilinocarbonyl)-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-thiophenecarboxylate
SpectraBase Compound ID FaCcesluKtA
InChI InChI=1S/C24H18N2O6S/c1-13-18(24(30)31-2)22(33-19(13)21(28)25-15-9-4-3-5-10-15)26-20(27)16-12-14-8-6-7-11-17(14)32-23(16)29/h3-12H,1-2H3,(H,25,28)(H,26,27)
InChIKey OGDDKQXRKFOFDX-UHFFFAOYSA-N
Mol Weight 462.48 g/mol
Molecular Formula C24H18N2O6S
Exact Mass 462.088557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdFSTMsnMbF
Name Methyl 5-(anilinocarbonyl)-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 462.088557476 u
Formula C24H18N2O6S
InChI InChI=1S/C24H18N2O6S/c1-13-18(24(30)31-2)22(33-19(13)21(28)25-15-9-4-3-5-10-15)26-20(27)16-12-14-8-6-7-11-17(14)32-23(16)29/h3-12H,1-2H3,(H,25,28)(H,26,27)
InChIKey OGDDKQXRKFOFDX-UHFFFAOYSA-N
Molecular Weight 462.476 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(C=1C(OC=2C(C1)=CC=CC2)=O)=O)C(=O)OC)C)=O)C=1C=CC=CC1