(4-nitrophenyl)methyl 2-[3-(dimethylamino)-3-oxidanylidene-propyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(dimethylamino)-3-oxidanylidene-propyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[3-(dimethylamino)-3-oxo-propyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[3-(dimethylamino)-3-oxopropyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[3-(dimethylamino)-3-keto-propyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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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-])CCC(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-13(23)29-17-10-16(8-9-18(24)20(2)3)21(11-17)19(25)28-12-14-4-6-15(7-5-14)22(26)27/h4-7,16-17H,8-12H2,1-3H3