butyl N-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]carbamate

Systemtic Name: butyl N-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]carbamate Openeye Name: butyl N-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)carbamate CAS Name: N-[oxo-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]carbamic acid butyl ester IUPAC Name: butyl N-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)carbamate Traditional Name: N-(1,1,3-triketo-1,2-benzothiazole-2-carbonyl)carbamic acid butyl ester Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCOC(=O)NC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H14N2O6S/c1-2-3-8-21-13(18)14-12(17)15-11(16)9-6-4-5-7-10(9)22(15,19)20/h4-7H,2-3,8H2,1H3,(H,14,17,18)