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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1H-imidazol-2-yl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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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-])C3=NC=CN3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CN3

InChI

InChI=1S/C17H18N4O5S/c1-11(22)27-14-8-15(16-18-6-7-19-16)20(9-14)17(23)26-10-12-2-4-13(5-3-12)21(24)25/h2-7,14-15H,8-10H2,1H3,(H,18,19)