(4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethoxy)methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethoxy)methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(2-amino-2-oxo-ethoxy)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(2-amino-2-oxoethoxy)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(2-amino-2-oxoethoxy)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(2-amino-2-keto-ethoxy)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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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-])COCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S/c1-11(21)28-15-6-14(9-26-10-16(18)22)19(7-15)17(23)27-8-12-2-4-13(5-3-12)20(24)25/h2-5,14-15H,6-10H2,1H3,(H2,18,22)