tert-butyl N-[1-(2-nitrooxyethylamino)-1-oxidanylidene-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-nitrooxyethylamino)-1-oxidanylidene-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(2-nitrooxyethylamino)-2-oxo-1-(thiazol-4-ylmethyl)ethyl]carbamate CAS Name: N-[1-(2-nitrooxyethylamino)-1-oxo-3-(4-thiazolyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-nitrooxyethylamino)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate Traditional Name: N-[2-keto-2-(2-nitrooxyethylamino)-1-(thiazol-4-ylmethyl)ethyl]carbamic acid tert-butyl ester Formula: C13H20N4O6S MolecularWeight: 360.3861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CSC=N1)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CSC=N1)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O6S/c1-13(2,3)23-12(19)16-10(6-9-7-24-8-15-9)11(18)14-4-5-22-17(20)21/h7-8,10H,4-6H2,1-3H3,(H,14,18)(H,16,19)