tert-butyl N-[3-oxidanylidene-1-(2-oxidanylideneethyl)-1-thiophen-2-yl-pyrazolidin-1-ium-4-yl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-1-(2-oxidanylideneethyl)-1-thiophen-2-yl-pyrazolidin-1-ium-4-yl]carbamate Openeye Name: tert-butyl N-[3-oxo-1-(2-oxoethyl)-1-(2-thienyl)pyrazolidin-1-ium-4-yl]carbamate CAS Name: N-[3-oxo-1-(2-oxoethyl)-1-thiophen-2-yl-4-pyrazolidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-1-(2-oxoethyl)-1-thiophen-2-ylpyrazolidin-1-ium-4-yl]carbamate Traditional Name: N-[3-keto-1-(2-ketoethyl)-1-(2-thienyl)pyrazolidin-1-ium-4-yl]carbamic acid tert-butyl ester Formula: C14H20N3O4S+ MolecularWeight: 326.3913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C[N+](NC1=O)(CC=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)NC1C[N+](NC1=O)(CC=O)C2=CC=CS2

InChI

InChI=1S/C14H19N3O4S/c1-14(2,3)21-13(20)15-10-9-17(6-7-18,16-12(10)19)11-5-4-8-22-11/h4-5,7-8,10H,6,9H2,1-3H3,(H-,15,16,19,20)/p+1