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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC(CC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

COC(=O)N1CC(CC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

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