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

Systemtic Name: methyl (4S)-2-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C15H15F3N2O5S MolecularWeight: 392.35021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2(C(=C(NC2=O)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@]2(C(=C(NC2=O)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C15H15F3N2O5S/c1-8-4-6-10(7-5-8)26(23,24)20-14(15(16,17)18)11(12(21)25-3)9(2)19-13(14)22/h4-7,20H,1-3H3,(H,19,22)/t14-/m0/s1