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4-[({(2Z)-3-ethyl-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID JNQHU1eMz2u
InChI InChI=1S/C21H21N3O5S/c1-3-24-18(25)12-17(19(26)22-14-6-4-13(5-7-14)20(27)28)30-21(24)23-15-8-10-16(29-2)11-9-15/h4-11,17H,3,12H2,1-2H3,(H,22,26)(H,27,28)/b23-21-
InChIKey CICDJZHTQSWWOA-LNVKXUELSA-N
Mol Weight 427.48 g/mol
Molecular Formula C21H21N3O5S
Exact Mass 427.120192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9K27tjm38SB
Name 4-[({(2Z)-3-ethyl-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
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/C21H21N3O5S/c1-3-24-18(25)12-17(19(26)22-14-6-4-13(5-7-14)20(27)28)30-21(24)23-15-8-10-16(29-2)11-9-15/h4-11,17H,3,12H2,1-2H3,(H,22,26)(H,27,28)/b23-21-
InChIKey CICDJZHTQSWWOA-LNVKXUELSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2387
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: D02475; Labnumber: MPOL-14433; SBI_ID: SBI-002389
Synonyms 4-[({3-ethyl-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 303 °C