tert-butyl ethanoate; (2R)-3-oxidanyl-3-oxidanylidene-2-[(phenylmethyl)sulfonylamino]propane-1-sulfinate; (2S)-pyrrolidine-2-carboxylic acid

Systemtic Name: tert-butyl ethanoate; (2R)-3-oxidanyl-3-oxidanylidene-2-[(phenylmethyl)sulfonylamino]propane-1-sulfinate; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: (2R)-2-(benzylsulfonylamino)-3-hydroxy-3-oxo-propane-1-sulfinate; tert-butyl acetate; (2S)-pyrrolidine-2-carboxylic acid CAS Name: acetic acid tert-butyl ester; (2R)-3-hydroxy-3-oxo-2-[(phenylmethyl)sulfonylamino]-1-propanesulfinate; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-2-(benzylsulfonylamino)-3-hydroxy-3-oxopropane-1-sulfinate; tert-butyl acetate; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: acetic acid tert-butyl ester; (2R)-2-(benzylsulfonylamino)-3-hydroxy-3-keto-propane-1-sulfinate; (2S)-proline Formula: C21H33N2O10S2- MolecularWeight: 537.62412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C.C1CC(NC1)C(=O)O.C1=CC=C(C=C1)CS(=O)(=O)NC(CS(=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)OC(C)(C)C.C1C[C@H](NC1)C(=O)O.C1=CC=C(C=C1)CS(=O)(=O)N[C@@H](CS(=O)[O-])C(=O)O

InChI

InChI=1S/C10H13NO6S2.C6H12O2.C5H9NO2/c12-10(13)9(6-18(14)15)11-19(16,17)7-8-4-2-1-3-5-8;1-5(7)8-6(2,3)4;7-5(8)4-2-1-3-6-4/h1-5,9,11H,6-7H2,(H,12,13)(H,14,15);1-4H3;4,6H,1-3H2,(H,7,8)/p-1/t9-;;4-/m0.0/s1