(4-nitrophenyl)methyl 2-(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxy-4-ethanoylsulfanyl-2-methyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxy-4-ethanoylsulfanyl-2-methyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-amino-1,1-dimethyl-2-oxo-ethoxy)-2-methyl-pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-2-methyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-2-methylpyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2-amino-2-keto-1,1-dimethyl-ethoxy)-2-methyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H25N3O7S MolecularWeight: 439.4827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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