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benzoic acid, 4-[(5Z)-5-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-4-oxothiazolidinyl]-, ethyl ester
SpectraBase Compound ID ADOxzZiv9Gs
InChI InChI=1S/C22H17FN4O3S/c1-2-30-21(29)14-5-9-17(10-6-14)27-20(28)18(31-22(27)24)11-15-12-25-26-19(15)13-3-7-16(23)8-4-13/h3-12,24H,2H2,1H3,(H,25,26)/b18-11-,24-22?
InChIKey OPYNIIDCDZEABY-DGOGAKRRSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H17FN4O3S
Exact Mass 436.10054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OgwKLlBRFD
Name 4-[(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-4-keto-thiazolidin-3-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-4-oxo-3-thiazolidinyl]benzoic acid ethyl ester Ethyl 4-[(5Z)-2-azanylidene-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazolidin-3-yl]benzoate Ethyl 4-[(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-imino-4-oxo-thiazolidin-3-yl]benzoate Ethyl 4-[(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoate
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Formula C22H17FN4O3S
InChI InChI=1S/C22H17FN4O3S/c1-2-30-21(29)14-5-9-17(10-6-14)27-20(28)18(31-22(27)24)11-15-12-25-26-19(15)13-3-7-16(23)8-4-13/h3-12,24H,2H2,1H3,(H,25,26)/b18-11-,24-22?
InChIKey OPYNIIDCDZEABY-DGOGAKRRSA-N
Molecular Weight 436.461 g/mol
SMILES [nH]1nc(c(\C=C\2C(N(C(S2)=N)c2ccc(C(=O)OCC)cc2)=O)c1)-c1ccc(cc1)F
SPLASH splash10-014r-3950000000-aa86f78b49c30eeae039
Wiley ID 1462577