(4-nitrophenyl)methyl 4-(phenylcarbonylsulfanyl)-2-(pyridin-4-ylsulfanylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(phenylcarbonylsulfanyl)-2-(pyridin-4-ylsulfanylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(4-pyridylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-[(pyridin-4-ylthio)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(pyridin-4-ylsulfanylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-[(4-pyridylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H23N3O5S2 MolecularWeight: 509.59722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(CN(C1CSC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O5S2/c29-24(19-4-2-1-3-5-19)35-23-14-21(17-34-22-10-12-26-13-11-22)27(15-23)25(30)33-16-18-6-8-20(9-7-18)28(31)32/h1-13,21,23H,14-17H2