(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-imidazolylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3C=CN=C3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3C=CN=C3

InChI

InChI=1S/C18H20N4O5S/c1-13(23)28-17-8-16(9-20-7-6-19-12-20)21(10-17)18(24)27-11-14-2-4-15(5-3-14)22(25)26/h2-7,12,16-17H,8-11H2,1H3