(4-nitrophenyl)methyl (2R,4S)-2-(3-oxidanylpropyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2R,4S)-2-(3-oxidanylpropyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2R,4S)-2-(3-hydroxypropyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2R,4S)-2-(3-hydroxypropyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R,4S)-2-(3-hydroxypropyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2R,4S)-2-(3-hydroxypropyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H20N2O5S MolecularWeight: 340.3947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CCCO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c18-7-1-2-13-8-14(23)9-16(13)15(19)22-10-11-3-5-12(6-4-11)17(20)21/h3-6,13-14,18,23H,1-2,7-10H2/t13-,14+/m1/s1