cyclohexyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: cyclohexyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: cyclohexyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 2-acetamido-3-methyl-3-(nitrosothio)butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-acetamido-3-methyl-3-nitrososulfanylbutanoate Traditional Name: 2-acetamido-3-methyl-3-(nitrosothio)butyric acid cyclohexyl ester Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)OC1CCCCC1)C(C)(C)SN=O

Isomeric SMILES

CC(=O)NC(C(=O)OC1CCCCC1)C(C)(C)SN=O

InChI

InChI=1S/C13H22N2O4S/c1-9(16)14-11(13(2,3)20-15-18)12(17)19-10-7-5-4-6-8-10/h10-11H,4-8H2,1-3H3,(H,14,16)