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

Systemtic Name: ethyl 3-butanoylsulfanyl-2-(2-nitrooxybutanoylamino)propanoate Openeye Name: ethyl 3-butanoylsulfanyl-2-(2-nitrooxybutanoylamino)propanoate CAS Name: 2-[(2-nitrooxy-1-oxobutyl)amino]-3-(1-oxobutylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-butanoylsulfanyl-2-(2-nitrooxybutanoylamino)propanoate Traditional Name: 3-(butyrylthio)-2-(2-nitrooxybutanoylamino)propionic acid ethyl ester Formula: C13H22N2O7S MolecularWeight: 350.38798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O7S/c1-4-7-11(16)23-8-9(13(18)21-6-3)14-12(17)10(5-2)22-15(19)20/h9-10H,4-8H2,1-3H3,(H,14,17)