tert-butyl N-[1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-2-oxo-ethyl]carbamate CAS Name: N-[1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-(2-keto-3-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl]carbamic acid tert-butyl ester Formula: C22H25N2O4S+ MolecularWeight: 413.5099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(C3=CC=CC=C3SC2=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(C3=CC=CC=C3SC2=O)C

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)28-20(26)23-16(14-15-10-6-5-7-11-15)19(25)24(4)17-12-8-9-13-18(17)29-21(24)27/h5-13,16H,14H2,1-4H3/p+1