(2S,4R)-4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-proline Formula: C15H16N2O7S MolecularWeight: 368.36174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O7S/c1-9(18)25-12-6-13(14(19)20)16(7-12)15(21)24-8-10-2-4-11(5-3-10)17(22)23/h2-5,12-13H,6-8H2,1H3,(H,19,20)/t12-,13+/m1/s1