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Benzoic acid, 4-[[[1-(2-chlorophenyl)-5-[(2-thienylcarbonyl)amino]-1H-pyrazol-4-yl]carbonyl]amino]-, ethyl ester
SpectraBase Compound ID KtNvM8cQQ1I
InChI InChI=1S/C24H19ClN4O4S/c1-2-33-24(32)15-9-11-16(12-10-15)27-22(30)17-14-26-29(19-7-4-3-6-18(19)25)21(17)28-23(31)20-8-5-13-34-20/h3-14H,2H2,1H3,(H,27,30)(H,28,31)
InChIKey XCPNHJHRUVDYJO-UHFFFAOYSA-N
Mol Weight 494.95 g/mol
Molecular Formula C24H19ClN4O4S
Exact Mass 494.081554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DBfrfJwtp5
Name Benzoic acid, 4-[[[1-(2-chlorophenyl)-5-[(2-thienylcarbonyl)amino]-1H-pyrazol-4-yl]carbonyl]amino]-, ethyl ester
Alternate Name(s) Ethyl 4-[1-(2-chlorophenyl)-5-(thiophene-2-amido)-1H-pyrazole-4-amido]benzoate 4-[[[1-(2-chlorophenyl)-5-[[oxo(thiophen-2-yl)methyl]amino]-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester Ethyl 4-[[1-(2-chlorophenyl)-5-(thiophene-2-carbonylamino)pyrazole-4-carbonyl]amino]benzoate Ethyl 4-[[1-(2-chlorophenyl)-5-(thiophen-2-ylcarbonylamino)pyrazol-4-yl]carbonylamino]benzoate
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Formula C24H19ClN4O4S
InChI InChI=1S/C24H19ClN4O4S/c1-2-33-24(32)15-9-11-16(12-10-15)27-22(30)17-14-26-29(19-7-4-3-6-18(19)25)21(17)28-23(31)20-8-5-13-34-20/h3-14H,2H2,1H3,(H,27,30)(H,28,31)
InChIKey XCPNHJHRUVDYJO-UHFFFAOYSA-N
Molecular Weight 494.953 g/mol
SMILES N(C(c1cn[n](c1NC(c1sccc1)=O)-c1c(Cl)cccc1)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-02ai-1914000000-2c6a536f9e3414206c66
Source of Spectrum IY-2-5074-0
Wiley ID 1658723