(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(2-methoxy-2-oxidanylidene-ethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(2-methoxy-2-oxidanylidene-ethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-methoxy-2-oxo-ethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(2-methoxy-2-oxoethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2-keto-2-methoxy-ethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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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-])CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-11(20)27-15-7-14(8-16(21)25-2)18(9-15)17(22)26-10-12-3-5-13(6-4-12)19(23)24/h3-6,14-15H,7-10H2,1-2H3