ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-(2-methylpropanoylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-(2-methylpropanoylsulfanyl)propanoate Openeye Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-(2-methylpropanoylsulfanyl)propanoate CAS Name: 2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-3-[(2-methyl-1-oxopropyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]-3-(2-methylpropanoylsulfanyl)propanoate Traditional Name: 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-(isobutyrylthio)propionic acid ethyl ester Formula: C14H24N2O7S MolecularWeight: 364.41456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O7S/c1-6-22-11(17)10(7-24-12(18)9(2)3)15-13(19)14(4,5)8-23-16(20)21/h9-10H,6-8H2,1-5H3,(H,15,19)