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

Systemtic Name: methyl (4S)-4-acetamido-2-methyl-5-oxidanylidene-1-(phenylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-acetamido-1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-acetamido-2-methyl-5-oxo-1-(phenylmethyl)-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-acetamido-1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-acetamido-1-benzyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H17F3N2O4 MolecularWeight: 370.32309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1CC2=CC=CC=C2)(C(F)(F)F)NC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1CC2=CC=CC=C2)(C(F)(F)F)NC(=O)C)C(=O)OC

InChI

InChI=1S/C17H17F3N2O4/c1-10-13(14(24)26-3)16(17(18,19)20,21-11(2)23)15(25)22(10)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,21,23)/t16-/m0/s1