[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H20FN3O6S MolecularWeight: 413.420603

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C17H20FN3O6S/c1-2-9-19-17(24)20-15(22)11-27-16(23)13-7-5-10-21(13)28(25,26)14-8-4-3-6-12(14)18/h2-4,6,8,13H,1,5,7,9-11H2,(H2,19,20,22,24)/t13-/m0/s1