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

Systemtic Name: ethyl 2-(3-nitrooxybutanoylamino)-3-sulfanyl-propanoate Openeye Name: ethyl 2-(3-nitrooxybutanoylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[(3-nitrooxy-1-oxobutyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-nitrooxybutanoylamino)-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-(3-nitrooxybutanoylamino)propionic acid ethyl ester Formula: C9H16N2O6S MolecularWeight: 280.29814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O6S/c1-3-16-9(13)7(5-18)10-8(12)4-6(2)17-11(14)15/h6-7,18H,3-5H2,1-2H3,(H,10,12)