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

Systemtic Name: tert-butyl N-[1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(benzylsulfanylmethyl)-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-(phenylmethylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-benzylsulfanyl-1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(benzylthio)methyl]-2-keto-2-(2-keto-3-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl]carbamic acid tert-butyl ester Formula: C23H27N2O4S2+ MolecularWeight: 459.60148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)[N+]2(C3=CC=CC=C3SC2=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)[N+]2(C3=CC=CC=C3SC2=O)C

InChI

InChI=1S/C23H26N2O4S2/c1-23(2,3)29-21(27)24-17(15-30-14-16-10-6-5-7-11-16)20(26)25(4)18-12-8-9-13-19(18)31-22(25)28/h5-13,17H,14-15H2,1-4H3/p+1