(4-nitrophenyl)methyl 2-[[2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(2,5-dioxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(2,5-dioxo-3-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(2,5-dioxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(2,5-diketopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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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-])CC3CC(=O)NC3=O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3CC(=O)NC3=O

InChI

InChI=1S/C19H21N3O7S/c1-11(23)30-16-8-15(6-13-7-17(24)20-18(13)25)21(9-16)19(26)29-10-12-2-4-14(5-3-12)22(27)28/h2-5,13,15-16H,6-10H2,1H3,(H,20,24,25)