benzoic acid, 4-[[[3-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, methyl ester

SpectraBase Compound ID	4If6cdlE53Y
InChI	InChI=1S/C31H32FN3O6S/c1-4-40-26-15-6-20(18-27(26)41-5-2)16-17-34-25(29(37)35(31(34)42)24-13-9-22(32)10-14-24)19-28(36)33-23-11-7-21(8-12-23)30(38)39-3/h6-15,18,25H,4-5,16-17,19H2,1-3H3,(H,33,36)
InChIKey	QMTMATJPKVOVMO-UHFFFAOYSA-N Google Search
Mol Weight	593.7 g/mol
Molecular Formula	C31H32FN3O6S
Exact Mass	593.199585 g/mol

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SpectraBase Spectrum ID	DcLh4XSAn1D
Name	4-[[2-[3-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H32FN3O6S
InChI	InChI=1S/C31H32FN3O6S/c1-4-40-26-15-6-20(18-27(26)41-5-2)16-17-34-25(29(37)35(31(34)42)24-13-9-22(32)10-14-24)19-28(36)33-23-11-7-21(8-12-23)30(38)39-3/h6-15,18,25H,4-5,16-17,19H2,1-3H3,(H,33,36)
InChIKey	QMTMATJPKVOVMO-UHFFFAOYSA-N
Molecular Weight	593.670 g/mol
SMILES	N(C(CC1C(N(C(N1CCc1cc(OCC)c(cc1)OCC)=S)c1ccc(cc1)F)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH	splash10-0006-0900000000-f4cb359a4781ea540b53
Synonyms	4-[[2-[3-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester Methyl 4-[2-[3-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Methyl 4-[[2-[3-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Methyl 4-[[2-[3-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Wiley ID	1463675