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ethyl (2E)-5-(4-chlorophenyl)-2-(2-furylmethylene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

View entire compound with spectra: 2 NMR

ethyl (2E)-5-(4-chlorophenyl)-2-(2-furylmethylene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID AV4ZE1fY115
InChI InChI=1S/C21H17ClN2O4S/c1-3-27-20(26)17-12(2)23-21-24(18(17)13-6-8-14(22)9-7-13)19(25)16(29-21)11-15-5-4-10-28-15/h4-11,18H,3H2,1-2H3/b16-11+
InChIKey IBXQWOAMHLLBJU-LFIBNONCSA-N
Mol Weight 428.89 g/mol
Molecular Formula C21H17ClN2O4S
Exact Mass 428.059756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGtQL5BIBFp
Name Ethyl (2E)-5-(4-chlorophenyl)-2-(2-furylmethylene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.059755905 u
Formula C21H17ClN2O4S
InChI InChI=1S/C21H17ClN2O4S/c1-3-27-20(26)17-12(2)23-21-24(18(17)13-6-8-14(22)9-7-13)19(25)16(29-21)11-15-5-4-10-28-15/h4-11,18H,3H2,1-2H3/b16-11+
InChIKey IBXQWOAMHLLBJU-LFIBNONCSA-N
Molecular Weight 428.890 g/mol
SMILES CCOC(C=1C(N2C(=NC1C)S\C(C2=O)=C/C=1OC=CC1)C=1C=CC(=CC1)Cl)=O