(4-nitrophenyl)methyl 2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-methyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methyl-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-methyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C13H16N2O4S/c1-9-6-12(20)7-14(9)13(16)19-8-10-2-4-11(5-3-10)15(17)18/h2-5,9,12,20H,6-8H2,1H3