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

Systemtic Name: ethyl 3-ethanoylsulfanyl-2-(2-nitrooxyethanoylamino)propanoate Openeye Name: ethyl 3-acetylsulfanyl-2-[(2-nitrooxyacetyl)amino]propanoate CAS Name: 3-(acetylthio)-2-[(2-nitrooxy-1-oxoethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-acetylsulfanyl-2-[(2-nitrooxyacetyl)amino]propanoate Traditional Name: 3-(acetylthio)-2-[(2-nitrooxyacetyl)amino]propionic acid ethyl ester Formula: C9H14N2O7S MolecularWeight: 294.28166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O7S/c1-3-17-9(14)7(5-19-6(2)12)10-8(13)4-18-11(15)16/h7H,3-5H2,1-2H3,(H,10,13)