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Propyl 4-(4-butylphenyl)-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Propyl 4-(4-butylphenyl)-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
SpectraBase Compound ID EffZaSJLFhi
InChI InChI=1S/C30H32N2O4S/c1-5-7-11-21-14-16-22(17-15-21)25-20(4)37-29(26(25)30(34)35-18-6-2)31-28(33)24-19(3)36-32-27(24)23-12-9-8-10-13-23/h8-10,12-17H,5-7,11,18H2,1-4H3,(H,31,33)
InChIKey DFYZLZBBOSFNFP-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C30H32N2O4S
Exact Mass 516.208279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3msZBBnvxHc
Name Propyl 4-(4-butylphenyl)-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.208278688 u
Formula C30H32N2O4S
InChI InChI=1S/C30H32N2O4S/c1-5-7-11-21-14-16-22(17-15-21)25-20(4)37-29(26(25)30(34)35-18-6-2)31-28(33)24-19(3)36-32-27(24)23-12-9-8-10-13-23/h8-10,12-17H,5-7,11,18H2,1-4H3,(H,31,33)
InChIKey DFYZLZBBOSFNFP-UHFFFAOYSA-N
Molecular Weight 516.656 g/mol
SMILES N(C1=C(C(=C(C)S1)C1=CC=C(C=C1)CCCC)C(=O)OCCC)C(C=1C(=NOC1C)C1=CC=CC=C1)=O