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ethyl 4-({(2Z)-3-benzyl-6-[(3-chloro-4-methylanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID 2RcWc1FiGJj
InChI InChI=1S/C28H26ClN3O4S/c1-3-36-27(35)20-10-13-21(14-11-20)31-28-32(17-19-7-5-4-6-8-19)25(33)16-24(37-28)26(34)30-22-12-9-18(2)23(29)15-22/h4-15,24H,3,16-17H2,1-2H3,(H,30,34)/b31-28-
InChIKey TVDVWMLBFCOIAA-PNOGMODKSA-N
Mol Weight 536.05 g/mol
Molecular Formula C28H26ClN3O4S
Exact Mass 535.133255 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 79SSumIbX1s
Name ethyl 4-({(2Z)-3-benzyl-6-[(3-chloro-4-methylanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H26ClN3O4S/c1-3-36-27(35)20-10-13-21(14-11-20)31-28-32(17-19-7-5-4-6-8-19)25(33)16-24(37-28)26(34)30-22-12-9-18(2)23(29)15-22/h4-15,24H,3,16-17H2,1-2H3,(H,30,34)/b31-28-
InChIKey TVDVWMLBFCOIAA-PNOGMODKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20493
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D18671; Labnumber: MPOL-13809; SBI_ID: SBI-020497
Synonyms ethyl 4-({3-benzyl-6-[(3-chloro-4-methylanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 318 °C