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ethyl 4-{[(2Z)-6-[(2-chloroanilino)carbonyl]-4-oxo-3-(2-phenylethyl)tetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
SpectraBase Compound ID 21IZJfF83P1
InChI InChI=1S/C28H26ClN3O4S/c1-2-36-27(35)20-12-14-21(15-13-20)30-28-32(17-16-19-8-4-3-5-9-19)25(33)18-24(37-28)26(34)31-23-11-7-6-10-22(23)29/h3-15,24H,2,16-18H2,1H3,(H,31,34)/b30-28-
InChIKey FNTVYQMLXZNHKR-HYOGKJQXSA-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 KY9IeA3WnVu
Name ethyl 4-{[(2Z)-6-[(2-chloroanilino)carbonyl]-4-oxo-3-(2-phenylethyl)tetrahydro-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/c1-2-36-27(35)20-12-14-21(15-13-20)30-28-32(17-16-19-8-4-3-5-9-19)25(33)18-24(37-28)26(34)31-23-11-7-6-10-22(23)29/h3-15,24H,2,16-18H2,1H3,(H,31,34)/b30-28-
InChIKey FNTVYQMLXZNHKR-HYOGKJQXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20488
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: D18665; Labnumber: MPOL-13114; SBI_ID: SBI-020492
Synonyms ethyl 4-{[6-[(2-chloroanilino)carbonyl]-4-oxo-3-(2-phenylethyl)tetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
Temperature 318 °C