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1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-2-methyl-5-oxo-1-(phenylmethyl)-4-[(2-thienylcarbonyl)amino]-4-(trifluoromethyl)-, methyl ester

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-2-methyl-5-oxo-1-(phenylmethyl)-4-[(2-thienylcarbonyl)amino]-4-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID EN1deqz7RPI
InChI InChI=1S/C20H17F3N2O4S/c1-12-15(17(27)29-2)19(20(21,22)23,24-16(26)14-9-6-10-30-14)18(28)25(12)11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,24,26)
InChIKey BTVGVBAXAUDZND-UHFFFAOYSA-N
Mol Weight 438.42 g/mol
Molecular Formula C20H17F3N2O4S
Exact Mass 438.086113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75ohUdtUQwy
Name 1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-2-methyl-5-oxo-1-(phenylmethyl)-4-[(2-thienylcarbonyl)amino]-4-(trifluoromethyl)-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17F3N2O4S
InChI InChI=1S/C20H17F3N2O4S/c1-12-15(17(27)29-2)19(20(21,22)23,24-16(26)14-9-6-10-30-14)18(28)25(12)11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,24,26)
InChIKey BTVGVBAXAUDZND-UHFFFAOYSA-N
Molecular Weight 438.421 g/mol
SMILES N(C1(C(N(C(=C1C(=O)OC)C)Cc1ccccc1)=O)C(F)(F)F)C(=O)c1sccc1
SPLASH splash10-03dl-9801100000-838028968825b1cf7b9f
Source of Spectrum IY-2-5038-0
Synonyms Methyl 1-benzyl-2-methyl-5-oxo-4-(thiophene-2-amido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate 2-Methyl-5-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]-1-(phenylmethyl)-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester Methyl 1-benzyl-2-methyl-5-oxo-4-(thiophene-2-carbonylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Methyl 2-methyl-5-oxidanylidene-1-(phenylmethyl)-4-(thiophen-2-ylcarbonylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate
Wiley ID 1658363