(2R,5S)-5-oxidanyl-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R,5S)-5-oxidanyl-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylate Openeye Name: (2R,5S)-1-(benzylcarbamothioyl)-5-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,5S)-5-hydroxy-1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R,5S)-1-(benzylcarbamothioyl)-5-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,5S)-1-(benzylthiocarbamoyl)-5-hydroxy-pyrrolidine-2-carboxylate Formula: C13H15N2O3S- MolecularWeight: 279.3348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C(=O)[O-])C(=S)NCC2=CC=CC=C2)O

Isomeric SMILES

C1C[C@@H](N([C@H]1C(=O)[O-])C(=S)NCC2=CC=CC=C2)O

InChI

InChI=1S/C13H16N2O3S/c16-11-7-6-10(12(17)18)15(11)13(19)14-8-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8H2,(H,14,19)(H,17,18)/p-1/t10-,11+/m1/s1