O2-methyl O1-[(4-nitrophenyl)methyl] (2S,4S)-4-sulfanylpyrrolidine-1,2-dicarboxylate

Systemtic Name: O2-methyl O1-[(4-nitrophenyl)methyl] (2S,4S)-4-sulfanylpyrrolidine-1,2-dicarboxylate Openeye Name: O2-methyl O1-[(4-nitrophenyl)methyl] (2S,4S)-4-sulfanylpyrrolidine-1,2-dicarboxylate CAS Name: (2S,4S)-4-mercaptopyrrolidine-1,2-dicarboxylic acid O2-methyl ester O1-[(4-nitrophenyl)methyl] ester IUPAC Name: 2-O-methyl 1-O-[(4-nitrophenyl)methyl] (2S,4S)-4-sulfanylpyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4S)-4-mercaptopyrrolidine-1,2-dicarboxylic acid O2-methyl ester O1-(4-nitrobenzyl) ester Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6S/c1-21-13(17)12-6-11(23)7-15(12)14(18)22-8-9-2-4-10(5-3-9)16(19)20/h2-5,11-12,23H,6-8H2,1H3/t11-,12-/m0/s1