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

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[2-(dimethylamino)-1-methoxy-2-oxidanylidene-ethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[2-(dimethylamino)-1-methoxy-2-oxo-ethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[2-(dimethylamino)-1-methoxy-2-oxoethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[2-(dimethylamino)-1-methoxy-2-oxoethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[2-(dimethylamino)-2-keto-1-methoxy-ethyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)OC

Isomeric SMILES

CN(C)C(=O)C([C@@H]1C[C@@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)OC

InChI

InChI=1S/C17H23N3O6S/c1-18(2)16(21)15(25-3)14-8-13(27)9-19(14)17(22)26-10-11-4-6-12(7-5-11)20(23)24/h4-7,13-15,27H,8-10H2,1-3H3/t13-,14-,15?/m0/s1