(4-nitrophenyl)methyl 2-[(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-amino-1,1-dimethyl-2-oxo-ethoxy)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(1-amino-2-methyl-1-oxopropan-2-yl)oxymethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)oxymethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-amino-2-keto-1,1-dimethyl-ethoxy)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CC(C)(C(=O)N)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C17H23N3O6S/c1-17(2,15(18)21)26-10-13-7-14(27)8-19(13)16(22)25-9-11-3-5-12(6-4-11)20(23)24/h3-6,13-14,27H,7-10H2,1-2H3,(H2,18,21)