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benzoic acid, 4-[[(2E)-6-[[(4-chlorophenyl)amino]carbonyl]tetrahydro-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)-6-[[(4-chlorophenyl)amino]carbonyl]tetrahydro-4-oxo-3-(2-propenyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester
SpectraBase Compound ID 3XjMl2hD7iv
InChI InChI=1S/C23H22ClN3O4S/c1-3-13-27-20(28)14-19(21(29)25-17-11-7-16(24)8-12-17)32-23(27)26-18-9-5-15(6-10-18)22(30)31-4-2/h3,5-12,19H,1,4,13-14H2,2H3,(H,25,29)/b26-23+
InChIKey XYCNEPNLGVTPHA-WNAAXNPUSA-N
Mol Weight 471.96 g/mol
Molecular Formula C23H22ClN3O4S
Exact Mass 471.101955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DxT3X59vxO
Name 4-[3-allyl-6-(4-chloro-phenylcarbamoyl)-4-oxo-[1,3]thiazinan-2-ylideneamino]-benzoic acid ethyl ester
Alternate Name(s) Ethyl 4-({(2E)-3-allyl-6-[(4-chloroanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate Ethyl 4-({3-allyl-6-[(4-chloroanilino)carbonyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
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Formula C23H22ClN3O4S
InChI InChI=1S/C23H22ClN3O4S/c1-3-13-27-20(28)14-19(21(29)25-17-11-7-16(24)8-12-17)32-23(27)26-18-9-5-15(6-10-18)22(30)31-4-2/h3,5-12,19H,1,4,13-14H2,2H3,(H,25,29)/b26-23+
InChIKey XYCNEPNLGVTPHA-WNAAXNPUSA-N
Molecular Weight 471.959 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(C(=O)OCC)cc1)CC=C)=O)=O)c1ccc(cc1)Cl
SPLASH splash10-0kbf-8931000000-cb998f11fc8a05c5fbd6
Wiley ID 1457906