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Isopropyl 2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate

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Isopropyl 2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 4pn7ZjuuGmj
InChI InChI=1S/C27H30N2O4S/c1-6-29(7-2)26(31)23-18(5)22(27(32)33-17(3)4)25(34-23)28-24(30)21-15-13-20(14-16-21)19-11-9-8-10-12-19/h8-17H,6-7H2,1-5H3,(H,28,30)
InChIKey RRSDAHLAWHVRNH-UHFFFAOYSA-N
Mol Weight 478.61 g/mol
Molecular Formula C27H30N2O4S
Exact Mass 478.192629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 755YbAwSME0
Name Isopropyl 2-[([1,1'-biphenyl]-4-ylcarbonyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 478.192628624 u
Formula C27H30N2O4S
InChI InChI=1S/C27H30N2O4S/c1-6-29(7-2)26(31)23-18(5)22(27(32)33-17(3)4)25(34-23)28-24(30)21-15-13-20(14-16-21)19-11-9-8-10-12-19/h8-17H,6-7H2,1-5H3,(H,28,30)
InChIKey RRSDAHLAWHVRNH-UHFFFAOYSA-N
Molecular Weight 478.607 g/mol
SMILES N(C1=C(C(=C(C(N(CC)CC)=O)S1)C)C(OC(C)C)=O)C(C=1C=CC(C=2C=CC=CC2)=CC1)=O