(4-nitrophenyl)methyl (3S)-3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (3S)-3-sulfanylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (3S)-3-sulfanylpyrrolidine-1-carboxylate CAS Name: (3S)-3-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3S)-3-sulfanylpyrrolidine-1-carboxylate Traditional Name: (3S)-3-mercaptopyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(C[C@H]1S)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4S/c15-12(13-6-5-11(19)7-13)18-8-9-1-3-10(4-2-9)14(16)17/h1-4,11,19H,5-8H2/t11-/m0/s1