(2R)-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-(benzylcarbamothioyl)pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-(benzylcarbamothioyl)pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-(benzylthiocarbamoyl)proline Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H16N2O2S/c16-12(17)11-7-4-8-15(11)13(18)14-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,18)(H,16,17)/t11-/m1/s1