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

Systemtic Name: methyl 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; methyl acetate; (2S)-pyrrolidine-2-carboxylic acid CAS Name: acetic acid methyl 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; methyl acetate; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: acetic acid methyl ester; (2R)-2-(benzylsulfonylamino)-3-hydroxy-3-keto-propane-1-sulfinate; (2S)-proline Formula: C18H27N2O10S2- MolecularWeight: 495.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC.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.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.C5H9NO2.C3H6O2/c12-10(13)9(6-18(14)15)11-19(16,17)7-8-4-2-1-3-5-8;7-5(8)4-2-1-3-6-4;1-3(4)5-2/h1-5,9,11H,6-7H2,(H,12,13)(H,14,15);4,6H,1-3H2,(H,7,8);1-2H3/p-1/t9-;4-;/m00./s1