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

Systemtic Name: tert-butyl N-[1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-methyl-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-oxopropan-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-oxopropan-2-yl]carbamate Traditional Name: N-[2-keto-2-(2-keto-3-methyl-1,3-benzothiazol-3-ium-3-yl)-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C16H21N2O4S+ MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-10(17-14(20)22-16(2,3)4)13(19)18(5)11-8-6-7-9-12(11)23-15(18)21/h6-10H,1-5H3/p+1