methyl (4S)-4-[(4-fluorophenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-4-[(4-fluorophenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-[(4-fluorobenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-4-[[(4-fluorophenyl)-oxomethyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[(4-fluorobenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-4-[(4-fluorobenzoyl)amino]-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C15H12F4N2O4 MolecularWeight: 360.260393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C15H12F4N2O4/c1-7-10(12(23)25-2)14(13(24)20-7,15(17,18)19)21-11(22)8-3-5-9(16)6-4-8/h3-6H,1-2H3,(H,20,24)(H,21,22)/t14-/m0/s1