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

SpectraBase Compound ID	AZyYfYuYxHP
InChI	InChI=1S/C30H29N3O7S/c1-3-37-23-12-10-21(11-13-23)31-28(35)26-16-27(34)33(17-19-5-14-24-25(15-19)40-18-39-24)30(41-26)32-22-8-6-20(7-9-22)29(36)38-4-2/h5-15,26H,3-4,16-18H2,1-2H3,(H,31,35)/b32-30-
InChIKey	XKFLLVBGOJZHKA-GCUVURNUSA-N Google Search
Mol Weight	575.64 g/mol
Molecular Formula	C30H29N3O7S
Exact Mass	575.172621 g/mol

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SpectraBase Spectrum ID	G9dP2qoiyYp
Name	ethyl 4-({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-[(4-ethoxyanilino)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/C30H29N3O7S/c1-3-37-23-12-10-21(11-13-23)31-28(35)26-16-27(34)33(17-19-5-14-24-25(15-19)40-18-39-24)30(41-26)32-22-8-6-20(7-9-22)29(36)38-4-2/h5-15,26H,3-4,16-18H2,1-2H3,(H,31,35)/b32-30-
InChIKey	XKFLLVBGOJZHKA-GCUVURNUSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2345
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: D02428; Labnumber: MPOL-13211; SBI_ID: SBI-002347
Synonyms	ethyl 4-({3-(1,3-benzodioxol-5-ylmethyl)-6-[(4-ethoxyanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature	318 °C