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benzoic acid, 4-[[(2E)-tetrahydro-6-[[(4-methoxyphenyl)amino]carbonyl]-4-oxo-3-(2-propenyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester

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

benzoic acid, 4-[[(2E)-tetrahydro-6-[[(4-methoxyphenyl)amino]carbonyl]-4-oxo-3-(2-propenyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester
SpectraBase Compound ID 7U2G7cRpI44
InChI InChI=1S/C24H25N3O5S/c1-4-14-27-21(28)15-20(22(29)25-17-10-12-19(31-3)13-11-17)33-24(27)26-18-8-6-16(7-9-18)23(30)32-5-2/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,25,29)/b26-24+
InChIKey UJKNUJUQTUADDH-SHHOIMCASA-N
Mol Weight 467.54 g/mol
Molecular Formula C24H25N3O5S
Exact Mass 467.151492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7P4zwxCc9L7
Name 4-[3-allyl-6-(4-methoxy-phenylcarbamoyl)-4-oxo-[1,3]thiazinan-2-ylideneamino]-benzoic acid ethyl ester
Alternate Name(s) Ethyl 4-({(2E)-3-allyl-6-[(4-methoxyanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate Ethyl 4-({3-allyl-6-[(4-methoxyanilino)carbonyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
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Formula C24H25N3O5S
InChI InChI=1S/C24H25N3O5S/c1-4-14-27-21(28)15-20(22(29)25-17-10-12-19(31-3)13-11-17)33-24(27)26-18-8-6-16(7-9-18)23(30)32-5-2/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,25,29)/b26-24+
InChIKey UJKNUJUQTUADDH-SHHOIMCASA-N
Molecular Weight 467.540 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(C(=O)OCC)cc1)CC=C)=O)=O)c1ccc(cc1)OC
SPLASH splash10-05fu-8910000000-a9a987ca5fa8c935e145
Wiley ID 1457902