dimethyl 2-[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]carbonylpropanedioate

Systemtic Name: dimethyl 2-[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]carbonylpropanedioate Openeye Name: dimethyl 2-[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidine-2-carbonyl]propanedioate CAS Name: 2-[[(2S,4S)-4-mercapto-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidine-2-carbonyl]propanedioate Traditional Name: 2-[(2S,4S)-4-mercapto-1-(4-nitrobenzyl)oxycarbonyl-prolyl]malonic acid dimethyl ester Formula: C18H20N2O9S MolecularWeight: 440.4244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)C(=O)OC

Isomeric SMILES

COC(=O)C(C(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)C(=O)OC

InChI

InChI=1S/C18H20N2O9S/c1-27-16(22)14(17(23)28-2)15(21)13-7-12(30)8-19(13)18(24)29-9-10-3-5-11(6-4-10)20(25)26/h3-6,12-14,30H,7-9H2,1-2H3/t12-,13-/m0/s1