ethyl 4-methylsulfanyl-2-(2-nitrooxybutanoylamino)butanoate

Systemtic Name: ethyl 4-methylsulfanyl-2-(2-nitrooxybutanoylamino)butanoate Openeye Name: ethyl 4-methylsulfanyl-2-(2-nitrooxybutanoylamino)butanoate CAS Name: 4-(methylthio)-2-[(2-nitrooxy-1-oxobutyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-2-(2-nitrooxybutanoylamino)butanoate Traditional Name: 4-(methylthio)-2-(2-nitrooxybutanoylamino)butyric acid ethyl ester Formula: C11H20N2O6S MolecularWeight: 308.3513

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CCSC)C(=O)OCC)O[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC(CCSC)C(=O)OCC)O[N+](=O)[O-]

InChI

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