(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-methyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-methyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-methyl-2-[2-(methylamino)-2-oxo-ethoxy]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-methyl-2-[2-(methylamino)-2-oxoethoxy]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-methyl-2-[2-(methylamino)-2-oxoethoxy]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[2-keto-2-(methylamino)ethoxy]-2-methyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H23N3O7S MolecularWeight: 425.45612

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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-])(C)OCC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7S/c1-12(22)29-15-8-18(2,28-11-16(23)19-3)20(9-15)17(24)27-10-13-4-6-14(7-5-13)21(25)26/h4-7,15H,8-11H2,1-3H3,(H,19,23)