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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-pyrazolylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(pyrazol-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=CC=N3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3C=CC=N3

InChI

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