tert-butyl [(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl]sulfanylmethanoate

Systemtic Name: tert-butyl [(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxidanylidene-propyl]sulfanylmethanoate Openeye Name: tert-butyl [(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxo-propyl]sulfanylformate CAS Name: [[(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl]thio]formic acid tert-butyl ester IUPAC Name: tert-butyl [(2R)-2-acetamido-3-(2-nitrooxyethylamino)-3-oxopropyl]sulfanylformate Traditional Name: [[(2R)-2-acetamido-3-keto-3-(2-nitrooxyethylamino)propyl]thio]formic acid tert-butyl ester Formula: C12H21N3O7S MolecularWeight: 351.37604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O7S/c1-8(16)14-9(7-23-11(18)22-12(2,3)4)10(17)13-5-6-21-15(19)20/h9H,5-7H2,1-4H3,(H,13,17)(H,14,16)/t9-/m0/s1