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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(4-methoxyphenyl)-, ethyl ester

View entire compound with spectra: 2 NMR

4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(4-methoxyphenyl)-, ethyl ester
SpectraBase Compound ID 7nsCRVPqHMr
InChI InChI=1S/C25H24N4O4S/c1-5-32-25(30)22-20(13-34-24-18(11-26)14(2)10-15(3)29-24)33-23(28)19(12-27)21(22)16-6-8-17(31-4)9-7-16/h6-10,21H,5,13,28H2,1-4H3
InChIKey NQCHGIQYURLIEH-UHFFFAOYSA-N
Mol Weight 476.55 g/mol
Molecular Formula C25H24N4O4S
Exact Mass 476.151826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0K0T10Zqly
Name 4H-Pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(4-methoxyphenyl)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.151826439 u
Formula C25H24N4O4S
InChI InChI=1S/C25H24N4O4S/c1-5-32-25(30)22-20(13-34-24-18(11-26)14(2)10-15(3)29-24)33-23(28)19(12-27)21(22)16-6-8-17(31-4)9-7-16/h6-10,21H,5,13,28H2,1-4H3
InChIKey NQCHGIQYURLIEH-UHFFFAOYSA-N
Molecular Weight 476.551 g/mol
SMILES NC1=C(C(C(=C(O1)CSC=1C(=C(C)C=C(N1)C)C#N)C(=O)OCC)C1=CC=C(C=C1)OC)C#N