ethyl 3-ethanoylsulfanyl-2-(3-nitrooxybutanoylamino)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O7S/c1-4-19-11(16)9(6-21-8(3)14)12-10(15)5-7(2)20-13(17)18/h7,9H,4-6H2,1-3H3,(H,12,15)