(4-methoxyphenyl) 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: (4-methoxyphenyl) 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: (4-methoxyphenyl) 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 2-acetamido-3-methyl-3-(nitrosothio)butanoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-acetamido-3-methyl-3-nitrososulfanylbutanoate Traditional Name: 2-acetamido-3-methyl-3-(nitrosothio)butyric acid (4-methoxyphenyl) ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-9(17)15-12(14(2,3)22-16-19)13(18)21-11-7-5-10(20-4)6-8-11/h5-8,12H,1-4H3,(H,15,17)