tert-butyl N-[3-methylsulfanyl-1-(2-nitrooxyethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-methylsulfanyl-1-(2-nitrooxyethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(methylsulfanylmethyl)-2-(2-nitrooxyethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-(methylthio)-1-(2-nitrooxyethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-methylsulfanyl-1-(2-nitrooxyethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-keto-1-[(methylthio)methyl]-2-(2-nitrooxyethylamino)ethyl]carbamic acid tert-butyl ester Formula: C11H21N3O6S MolecularWeight: 323.36594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C11H21N3O6S/c1-11(2,3)20-10(16)13-8(7-21-4)9(15)12-5-6-19-14(17)18/h8H,5-7H2,1-4H3,(H,12,15)(H,13,16)