(2R,4R)-4-oxidanyl-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R,4R)-4-oxidanyl-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylate Openeye Name: (2R,4R)-1-(benzylcarbamothioyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4R)-4-hydroxy-1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R,4R)-1-(benzylcarbamothioyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,4R)-1-(benzylthiocarbamoyl)-4-hydroxy-pyrrolidine-2-carboxylate Formula: C13H15N2O3S- MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](CN([C@H]1C(=O)[O-])C(=S)NCC2=CC=CC=C2)O

InChI

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