(4-nitrophenyl)methyl 3-methyl-3-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-3-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methyl-3-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 3-mercapto-3-methyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercapto-3-methyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CC1(CCN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

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