tert-butyl N-[4-methyl-1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-methyl-1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[3-methyl-1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-carbonyl)butyl]carbamate CAS Name: N-[4-methyl-1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-methyl-1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-(2-keto-3-methyl-1,3-benzothiazol-3-ium-3-carbonyl)-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C19H27N2O4S+ MolecularWeight: 379.49368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[N+]1(C2=CC=CC=C2SC1=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)[N+]1(C2=CC=CC=C2SC1=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H26N2O4S/c1-12(2)11-13(20-17(23)25-19(3,4)5)16(22)21(6)14-9-7-8-10-15(14)26-18(21)24/h7-10,12-13H,11H2,1-6H3/p+1