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

Systemtic Name: ethyl 2-[(2-methyl-2-nitrooxy-propanoyl)amino]-3-(phenylcarbonylsulfanyl)propanoate Openeye Name: ethyl 3-benzoylsulfanyl-2-[(2-methyl-2-nitrooxy-propanoyl)amino]propanoate CAS Name: 3-(benzoylthio)-2-[(2-methyl-2-nitrooxy-1-oxopropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-benzoylsulfanyl-2-[(2-methyl-2-nitrooxypropanoyl)amino]propanoate Traditional Name: 3-(benzoylthio)-2-[(2-methyl-2-nitrooxy-propanoyl)amino]propionic acid ethyl ester Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7S/c1-4-24-13(19)12(17-15(21)16(2,3)25-18(22)23)10-26-14(20)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3,(H,17,21)