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

Systemtic Name: 4-oxidanyl-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(benzylcarbamothioyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(benzylcarbamothioyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(benzylthiocarbamoyl)-4-hydroxy-proline Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=S)NCC2=CC=CC=C2)O

Isomeric SMILES

C1C(CN(C1C(=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)