(4-nitrophenyl)methyl (2R,4S)-2-[3-(dimethylamino)-3-oxidanylidene-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2R,4S)-2-[3-(dimethylamino)-3-oxidanylidene-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2R,4S)-2-[3-(dimethylamino)-3-oxo-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2R,4S)-2-[3-(dimethylamino)-3-oxopropyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R,4S)-2-[3-(dimethylamino)-3-oxopropyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2R,4S)-2-[3-(dimethylamino)-3-keto-propyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-18(2)16(21)8-7-14-9-15(26)10-19(14)17(22)25-11-12-3-5-13(6-4-12)20(23)24/h3-6,14-15,26H,7-11H2,1-2H3/t14-,15+/m1/s1