(4-nitrophenyl)methyl (2S,4S)-2-(pyridin-3-ylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-(pyridin-3-ylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-(3-pyridylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[(3-pyridinylthio)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-(pyridin-3-ylsulfanylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[(3-pyridylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSC2=CN=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1[C@@H](CN([C@@H]1CSC2=CN=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H19N3O4S2/c22-18(25-11-13-3-5-14(6-4-13)21(23)24)20-10-16(26)8-15(20)12-27-17-2-1-7-19-9-17/h1-7,9,15-16,26H,8,10-12H2/t15-,16-/m0/s1