2-[(2S)-2-carboxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]ethanethioate

Systemtic Name: 2-[(2S)-2-carboxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]ethanethioate Openeye Name: 2-[(2S)-2-carboxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]ethanethioate CAS Name: 2-[(2S)-2-carboxy-1-[(4-nitrophenyl)methoxy-oxomethyl]-1-pyrrolidin-1-iumyl]ethanethioate IUPAC Name: 2-[(2S)-2-carboxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]ethanethioate Traditional Name: 2-[(2S)-2-carboxy-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-1-ium-1-yl]thioacetate Formula: C15H16N2O7S MolecularWeight: 368.36174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H]([N+](C1)(CC(=S)[O-])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)/t12-,17?/m0/s1