sodium (phenylmethyl) 3-fluoranyl-3-(sulfanylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: sodium (phenylmethyl) 3-fluoranyl-3-(sulfanylmethyl)pyrrolidine-1-carboxylate Openeye Name: sodium benzyl 3-fluoro-3-(sulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: sodium 3-fluoro-3-(mercaptomethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: sodium benzyl 3-fluoro-3-(sulfanylmethyl)pyrrolidine-1-carboxylate Traditional Name: sodium 3-fluoro-3-(mercaptomethyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C13H15FNNaO2S MolecularWeight: 291.316873

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1([CH-]S)F)C(=O)OCC2=CC=CC=C2.[Na+]

Isomeric SMILES

C1CN(CC1([CH-]S)F)C(=O)OCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H15FNO2S.Na/c14-13(10-18)6-7-15(9-13)12(16)17-8-11-4-2-1-3-5-11;/h1-5,10,18H,6-9H2;/q-1;+1