(2S)-1-[(4-nitrophenyl)methoxycarbonyl]-1-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: (2S)-1-[(4-nitrophenyl)methoxycarbonyl]-1-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2S)-1-[(4-nitrophenyl)methoxycarbonyl]-1-(2-oxo-2-sulfanyl-ethyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2S)-1-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2S)-1-[(4-nitrophenyl)methoxycarbonyl]-1-(2-oxo-2-sulfanylethyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2S)-1-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C15H17N2O7S+ MolecularWeight: 369.36968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(CC(=O)S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@H]([N+](C1)(CC(=O)S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16N2O7S/c18-13(25)8-17(7-1-2-12(17)14(19)20)15(21)24-9-10-3-5-11(6-4-10)16(22)23/h3-6,12H,1-2,7-9H2,(H-,18,19,20,25)/p+1/t12-,17?/m0/s1