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

Systemtic Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-ethanoylsulfanyl-propanoate Openeye Name: ethyl 3-acetylsulfanyl-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate CAS Name: 3-(acetylthio)-2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-acetylsulfanyl-2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]propanoate Traditional Name: 3-(acetylthio)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propionic acid ethyl ester Formula: C12H20N2O7S MolecularWeight: 336.3614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O7S/c1-5-20-10(16)9(6-22-8(2)15)13-11(17)12(3,4)7-21-14(18)19/h9H,5-7H2,1-4H3,(H,13,17)