ethyl 3-ethanoylsulfanyl-2-[(2-methyl-2-nitrooxy-propanoyl)amino]propanoate

Systemtic Name: ethyl 3-ethanoylsulfanyl-2-[(2-methyl-2-nitrooxy-propanoyl)amino]propanoate Openeye Name: ethyl 3-acetylsulfanyl-2-[(2-methyl-2-nitrooxy-propanoyl)amino]propanoate CAS Name: 3-(acetylthio)-2-[(2-methyl-2-nitrooxy-1-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-acetylsulfanyl-2-[(2-methyl-2-nitrooxypropanoyl)amino]propanoate Traditional Name: 3-(acetylthio)-2-[(2-methyl-2-nitrooxy-propanoyl)amino]propionic acid ethyl ester Formula: C11H18N2O7S MolecularWeight: 322.33482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=O)C)NC(=O)C(C)(C)O[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CSC(=O)C)NC(=O)C(C)(C)O[N+](=O)[O-]

InChI

InChI=1S/C11H18N2O7S/c1-5-19-9(15)8(6-21-7(2)14)12-10(16)11(3,4)20-13(17)18/h8H,5-6H2,1-4H3,(H,12,16)