ethyl (4S)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl (4S)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl (4S)-2-methyl-5-oxo-4-(p-tolylsulfonylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(tosylamino)-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H17F3N2O5S MolecularWeight: 406.37679

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C1(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)[C@@]1(C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C16H17F3N2O5S/c1-4-26-13(22)12-10(3)20-14(23)15(12,16(17,18)19)21-27(24,25)11-7-5-9(2)6-8-11/h5-8,21H,4H2,1-3H3,(H,20,23)/t15-/m0/s1