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

Systemtic Name: ethyl 2-(3-nitrooxyhexanoylamino)-3-sulfanyl-propanoate Openeye Name: ethyl 2-(3-nitrooxyhexanoylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[(3-nitrooxy-1-oxohexyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-nitrooxyhexanoylamino)-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-(3-nitrooxyhexanoylamino)propionic acid ethyl ester Formula: C11H20N2O6S MolecularWeight: 308.3513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O6S/c1-3-5-8(19-13(16)17)6-10(14)12-9(7-20)11(15)18-4-2/h8-9,20H,3-7H2,1-2H3,(H,12,14)