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Thiophene-3-carboxylic acid, 5-ethyl-4-phenyl-2-phenylthioacetylamino-, ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Thiophene-3-carboxylic acid, 5-ethyl-4-phenyl-2-phenylthioacetylamino-, ethyl ester
SpectraBase Compound ID 9MqrvjjAxgY
InChI InChI=1S/C23H23NO3S2/c1-3-18-20(16-11-7-5-8-12-16)21(23(26)27-4-2)22(29-18)24-19(25)15-28-17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,24,25)
InChIKey LVDCQXQBFBMINU-UHFFFAOYSA-N
Mol Weight 425.56 g/mol
Molecular Formula C23H23NO3S2
Exact Mass 425.111936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wL6BDh9qq2
Name Thiophene-3-carboxylic acid, 5-ethyl-4-phenyl-2-phenylthioacetylamino-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.111935950 u
Formula C23H23NO3S2
InChI InChI=1S/C23H23NO3S2/c1-3-18-20(16-11-7-5-8-12-16)21(23(26)27-4-2)22(29-18)24-19(25)15-28-17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,24,25)
InChIKey LVDCQXQBFBMINU-UHFFFAOYSA-N
Molecular Weight 425.561 g/mol
SMILES C1(=C(C(C=2C=CC=CC2)=C(S1)CC)C(=O)OCC)NC(=O)CSC1=CC=CC=C1