(phenylmethyl) (2S)-1-[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(2-benzylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[2-(phenylmethylthio)-3-pyridinyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(2-benzylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(benzylthio)nicotinoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S/c28-24(21-13-7-15-26-23(21)31-18-20-11-5-2-6-12-20)27-16-8-14-22(27)25(29)30-17-19-9-3-1-4-10-19/h1-7,9-13,15,22H,8,14,16-18H2/t22-/m0/s1