(4-nitrophenyl)methyl 2-[4-(bromomethyl)-1,3-dioxolan-2-yl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(bromomethyl)-1,3-dioxolan-2-yl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-(bromomethyl)-1,3-dioxolan-2-yl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[4-(bromomethyl)-1,3-dioxolan-2-yl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-(bromomethyl)-1,3-dioxolan-2-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[4-(bromomethyl)-1,3-dioxolan-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H21BrN2O7S MolecularWeight: 489.33754

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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-])C3OCC(O3)CBr

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3OCC(O3)CBr

InChI

InChI=1S/C18H21BrN2O7S/c1-11(22)29-15-6-16(17-26-10-14(7-19)28-17)20(8-15)18(23)27-9-12-2-4-13(5-3-12)21(24)25/h2-5,14-17H,6-10H2,1H3