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methyl 4-({[(2Z)-2-[(4-chlorophenyl)imino]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate

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methyl 4-({[(2Z)-2-[(4-chlorophenyl)imino]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate
SpectraBase Compound ID KfMf29fmFlG
InChI InChI=1S/C27H24ClN3O5S/c1-35-22-13-3-17(4-14-22)16-31-24(32)15-23(37-27(31)30-21-11-7-19(28)8-12-21)25(33)29-20-9-5-18(6-10-20)26(34)36-2/h3-14,23H,15-16H2,1-2H3,(H,29,33)/b30-27-
InChIKey WIULCUSJHMEVLJ-IKPAITLHSA-N
Mol Weight 538.02 g/mol
Molecular Formula C27H24ClN3O5S
Exact Mass 537.11252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7vWGRsvvk4
Name Methyl 4-({[(2Z)-2-[(4-chlorophenyl)imino]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 537.112519754 u
Formula C27H24ClN3O5S
InChI InChI=1S/C27H24ClN3O5S/c1-35-22-13-3-17(4-14-22)16-31-24(32)15-23(37-27(31)30-21-11-7-19(28)8-12-21)25(33)29-20-9-5-18(6-10-20)26(34)36-2/h3-14,23H,15-16H2,1-2H3,(H,29,33)/b30-27-
InChIKey WIULCUSJHMEVLJ-IKPAITLHSA-N
Molecular Weight 538.018 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\C=1C=CC(=CC1)Cl)CC=1C=CC(=CC1)OC)=O)=O)C=1C=CC(C(=O)OC)=CC1