methyl (4S)-4-acetamido-2-methyl-5-oxidanylidene-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-4-acetamido-2-methyl-5-oxidanylidene-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-acetamido-1-isopropyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-acetamido-2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-acetamido-2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-acetamido-1-isopropyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C13H17F3N2O4 MolecularWeight: 322.28029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C(C)C)(C(F)(F)F)NC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1C(C)C)(C(F)(F)F)NC(=O)C)C(=O)OC

InChI

InChI=1S/C13H17F3N2O4/c1-6(2)18-7(3)9(10(20)22-5)12(11(18)21,13(14,15)16)17-8(4)19/h6H,1-5H3,(H,17,19)/t12-/m0/s1