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Isopropyl 4-ethyl-2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Isopropyl 4-ethyl-2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID CWTTwmDFI8K
InChI InChI=1S/C28H28N2O4S/c1-6-20-17(4)35-27(25(20)28(32)34-16(2)3)30-26(31)22-15-24(18-10-9-11-19(14-18)33-5)29-23-13-8-7-12-21(22)23/h7-16H,6H2,1-5H3,(H,30,31)
InChIKey VVZAAAKHZANGLZ-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C28H28N2O4S
Exact Mass 488.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WNGdMp1i54
Name Isopropyl 4-ethyl-2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 488.176978560 u
Formula C28H28N2O4S
InChI InChI=1S/C28H28N2O4S/c1-6-20-17(4)35-27(25(20)28(32)34-16(2)3)30-26(31)22-15-24(18-10-9-11-19(14-18)33-5)29-23-13-8-7-12-21(22)23/h7-16H,6H2,1-5H3,(H,30,31)
InChIKey VVZAAAKHZANGLZ-UHFFFAOYSA-N
Molecular Weight 488.602 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C(=C(C)S1)CC)C(C=1C=C(C2=CC(OC)=CC=C2)N=C2C1C=CC=C2)=O