(4-nitrophenyl)methyl (2S,4S)-2-[2-(dimethylamino)-1-methoxy-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[2-(dimethylamino)-1-methoxy-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[2-(dimethylamino)-1-methoxy-2-oxo-ethyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-[2-(dimethylamino)-1-methoxy-2-oxoethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[2-(dimethylamino)-1-methoxy-2-oxoethyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-[2-(dimethylamino)-2-keto-1-methoxy-ethyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H25N3O7S MolecularWeight: 439.4827

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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(C(=O)N(C)C)OC

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C(=O)N(C)C)OC

InChI

InChI=1S/C19H25N3O7S/c1-12(23)30-15-9-16(17(28-4)18(24)20(2)3)21(10-15)19(25)29-11-13-5-7-14(8-6-13)22(26)27/h5-8,15-17H,9-11H2,1-4H3/t15-,16-,17?/m0/s1