(3-chlorophenyl) 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: (3-chlorophenyl) 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: (3-chlorophenyl) 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 2-acetamido-3-methyl-3-(nitrosothio)butanoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 2-acetamido-3-methyl-3-nitrososulfanylbutanoate Traditional Name: 2-acetamido-3-methyl-3-(nitrosothio)butyric acid (3-chlorophenyl) ester Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O4S/c1-8(17)15-11(13(2,3)21-16-19)12(18)20-10-6-4-5-9(14)7-10/h4-7,11H,1-3H3,(H,15,17)