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Isopropyl 2-[(4-chlorobenzoyl)amino]-5-methyl-4-(4-methylphenyl)-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Isopropyl 2-[(4-chlorobenzoyl)amino]-5-methyl-4-(4-methylphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID 5jEpoxtxl4z
InChI InChI=1S/C23H22ClNO3S/c1-13(2)28-23(27)20-19(16-7-5-14(3)6-8-16)15(4)29-22(20)25-21(26)17-9-11-18(24)12-10-17/h5-13H,1-4H3,(H,25,26)
InChIKey GKEWMOCHCIUQGG-UHFFFAOYSA-N
Mol Weight 427.95 g/mol
Molecular Formula C23H22ClNO3S
Exact Mass 427.100892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1y3w3uBL2cw
Name Isopropyl 2-[(4-chlorobenzoyl)amino]-5-methyl-4-(4-methylphenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.100892443 u
Formula C23H22ClNO3S
InChI InChI=1S/C23H22ClNO3S/c1-13(2)28-23(27)20-19(16-7-5-14(3)6-8-16)15(4)29-22(20)25-21(26)17-9-11-18(24)12-10-17/h5-13H,1-4H3,(H,25,26)
InChIKey GKEWMOCHCIUQGG-UHFFFAOYSA-N
Molecular Weight 427.946 g/mol
SMILES N(C1=C(C(=C(C)S1)C=1C=CC(=CC1)C)C(OC(C)C)=O)C(C=1C=CC(=CC1)Cl)=O