(4-nitrophenyl)methyl (2R,4S)-2-(2-hydroxyethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2R,4S)-2-(2-hydroxyethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2R,4S)-2-(2-hydroxyethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2R,4S)-2-(2-hydroxyethyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R,4S)-2-(2-hydroxyethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2R,4S)-2-(2-hydroxyethyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H18N2O5S MolecularWeight: 326.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CCO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1[C@@H](CN([C@@H]1CCO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C14H18N2O5S/c17-6-5-12-7-13(22)8-15(12)14(18)21-9-10-1-3-11(4-2-10)16(19)20/h1-4,12-13,17,22H,5-9H2/t12-,13+/m1/s1