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ethyl 4-({(2Z)-3-benzyl-6-[(4-chloroanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID FUmM1ubmT9o
InChI InChI=1S/C27H24ClN3O4S/c1-2-35-26(34)19-8-12-22(13-9-19)30-27-31(17-18-6-4-3-5-7-18)24(32)16-23(36-27)25(33)29-21-14-10-20(28)11-15-21/h3-15,23H,2,16-17H2,1H3,(H,29,33)/b30-27-
InChIKey MWIQGVQEHVBBCS-IKPAITLHSA-N
Mol Weight 522.02 g/mol
Molecular Formula C27H24ClN3O4S
Exact Mass 521.117605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FR0F0862k2F
Name ethyl 4-({(2Z)-3-benzyl-6-[(4-chloroanilino)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/C27H24ClN3O4S/c1-2-35-26(34)19-8-12-22(13-9-19)30-27-31(17-18-6-4-3-5-7-18)24(32)16-23(36-27)25(33)29-21-14-10-20(28)11-15-21/h3-15,23H,2,16-17H2,1H3,(H,29,33)/b30-27-
InChIKey MWIQGVQEHVBBCS-IKPAITLHSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18809
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: D11724; Labnumber: MPOL-13794; SBI_ID: SBI-018812
Synonyms ethyl 4-({3-benzyl-6-[(4-chloroanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 306 °C