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ethyl 4-({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-[(3-chloroanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate

View entire compound with spectra: 2 NMR

ethyl 4-({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-[(3-chloroanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID 2YpAJXf9wj
InChI InChI=1S/C28H24ClN3O6S/c1-2-36-27(35)18-7-9-20(10-8-18)31-28-32(15-17-6-11-22-23(12-17)38-16-37-22)25(33)14-24(39-28)26(34)30-21-5-3-4-19(29)13-21/h3-13,24H,2,14-16H2,1H3,(H,30,34)/b31-28-
InChIKey QPKQNCFOXJVCML-PNOGMODKSA-N
Mol Weight 566.03 g/mol
Molecular Formula C28H24ClN3O6S
Exact Mass 565.107434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnpdvjBmRV5
Name Ethyl 4-({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-[(3-chloroanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 565.107434373 u
Formula C28H24ClN3O6S
InChI InChI=1S/C28H24ClN3O6S/c1-2-36-27(35)18-7-9-20(10-8-18)31-28-32(15-17-6-11-22-23(12-17)38-16-37-22)25(33)14-24(39-28)26(34)30-21-5-3-4-19(29)13-21/h3-13,24H,2,14-16H2,1H3,(H,30,34)/b31-28-
InChIKey QPKQNCFOXJVCML-PNOGMODKSA-N
Molecular Weight 566.028 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\C=1C=CC(C(=O)OCC)=CC1)CC=1C=C2OCOC2=CC1)=O)=O)C1=CC(Cl)=CC=C1