phenyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: phenyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: phenyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 2-acetamido-3-methyl-3-(nitrosothio)butanoic acid phenyl ester IUPAC Name: phenyl 2-acetamido-3-methyl-3-nitrososulfanylbutanoate Traditional Name: 2-acetamido-3-methyl-3-(nitrosothio)butyric acid phenyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)OC1=CC=CC=C1)C(C)(C)SN=O

Isomeric SMILES

CC(=O)NC(C(=O)OC1=CC=CC=C1)C(C)(C)SN=O

InChI

InChI=1S/C13H16N2O4S/c1-9(16)14-11(13(2,3)20-15-18)12(17)19-10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,14,16)