(4-nitrophenyl)methyl 2-(cyanomethyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(cyanomethyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(cyanomethyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate CAS Name: 2-(cyanomethyl)-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(cyanomethyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Traditional Name: 2-(cyanomethyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC#N

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC#N

InChI

InChI=1S/C22H23N3O5S/c1-29-20-8-4-17(5-9-20)15-31-21-12-19(10-11-23)24(13-21)22(26)30-14-16-2-6-18(7-3-16)25(27)28/h2-9,19,21H,10,12-15H2,1H3