(4-nitrophenyl)methyl (3S)-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (3S)-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (3S)-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[(2S,4S)-4-mercapto-2-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3S)-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[(2S,4S)-4-mercaptopyrrolidin-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O4S MolecularWeight: 351.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2CC(CN2)S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C[C@H]1[C@@H]2C[C@@H](CN2)S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S/c20-16(23-10-11-1-3-13(4-2-11)19(21)22)18-6-5-12(9-18)15-7-14(24)8-17-15/h1-4,12,14-15,17,24H,5-10H2/t12-,14-,15-/m0/s1