(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoate Traditional Name: 3-methyl-2-(piazthiol-4-ylsulfonylamino)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N6O5S2 MolecularWeight: 474.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H18N6O5S2/c1-11(2)16(23-32(28,29)15-9-5-8-14-17(15)22-31-21-14)19(27)30-10-25-18(26)12-6-3-4-7-13(12)20-24-25/h3-9,11,16,23H,10H2,1-2H3