octyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: octyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate Openeye Name: octyl 2-acetamido-3-methyl-3-nitrososulfanyl-butanoate CAS Name: 2-acetamido-3-methyl-3-(nitrosothio)butanoic acid octyl ester IUPAC Name: octyl 2-acetamido-3-methyl-3-nitrososulfanylbutanoate Traditional Name: 2-acetamido-3-methyl-3-(nitrosothio)butyric acid octyl ester Formula: C15H28N2O4S MolecularWeight: 332.45882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C(C)(C)SN=O)NC(=O)C

Isomeric SMILES

CCCCCCCCOC(=O)C(C(C)(C)SN=O)NC(=O)C

InChI

InChI=1S/C15H28N2O4S/c1-5-6-7-8-9-10-11-21-14(19)13(16-12(2)18)15(3,4)22-17-20/h13H,5-11H2,1-4H3,(H,16,18)