(phenylmethyl) 2-(cyanomethyl)-4-methylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(cyanomethyl)-4-methylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-(cyanomethyl)-4-methylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(cyanomethyl)-4-(methylthio)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(cyanomethyl)-4-methylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(cyanomethyl)-4-(methylthio)pyrrolidine-1-carboxylic acid benzyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(N(C1)C(=O)OCC2=CC=CC=C2)CC#N

Isomeric SMILES

CSC1CC(N(C1)C(=O)OCC2=CC=CC=C2)CC#N

InChI

InChI=1S/C15H18N2O2S/c1-20-14-9-13(7-8-16)17(10-14)15(18)19-11-12-5-3-2-4-6-12/h2-6,13-14H,7,9-11H2,1H3