ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-(phenylcarbonylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-(phenylcarbonylsulfanyl)propanoate Openeye Name: ethyl 3-benzoylsulfanyl-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propanoate CAS Name: 3-(benzoylthio)-2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-benzoylsulfanyl-2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]propanoate Traditional Name: 3-(benzoylthio)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propionic acid ethyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=O)C1=CC=CC=C1)NC(=O)C(C)(C)CO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CSC(=O)C1=CC=CC=C1)NC(=O)C(C)(C)CO[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O7S/c1-4-25-14(20)13(10-27-15(21)12-8-6-5-7-9-12)18-16(22)17(2,3)11-26-19(23)24/h5-9,13H,4,10-11H2,1-3H3,(H,18,22)