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

Systemtic Name: tert-butyl N-[1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate Openeye Name: tert-butyl N-[2-benzyloxy-1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-carbonyl)propyl]carbamate CAS Name: N-[1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxo-3-phenylmethoxybutan-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-phenylmethoxybutan-2-yl]carbamate Traditional Name: N-[2-benzoxy-1-(2-keto-3-methyl-1,3-benzothiazol-3-ium-3-carbonyl)propyl]carbamic acid tert-butyl ester Formula: C24H29N2O5S+ MolecularWeight: 457.56246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[N+]1(C2=CC=CC=C2SC1=O)C)NC(=O)OC(C)(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(C(=O)[N+]1(C2=CC=CC=C2SC1=O)C)NC(=O)OC(C)(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S/c1-16(30-15-17-11-7-6-8-12-17)20(25-22(28)31-24(2,3)4)21(27)26(5)18-13-9-10-14-19(18)32-23(26)29/h6-14,16,20H,15H2,1-5H3/p+1