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

Systemtic Name: methyl (4S)-4-acetamido-1-butyl-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-acetamido-1-butyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-acetamido-1-butyl-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-acetamido-1-butyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-acetamido-1-butyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C14H19F3N2O4 MolecularWeight: 336.30687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)C)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C([C@](C1=O)(C(F)(F)F)NC(=O)C)C(=O)OC)C

InChI

InChI=1S/C14H19F3N2O4/c1-5-6-7-19-8(2)10(11(21)23-4)13(12(19)22,14(15,16)17)18-9(3)20/h5-7H2,1-4H3,(H,18,20)/t13-/m0/s1