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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoic 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)propanoate Traditional Name: 2-(piazthiol-4-ylsulfonylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H14N6O5S2 MolecularWeight: 446.46026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O5S2/c1-10(21-30(26,27)14-8-4-7-13-15(14)20-29-19-13)17(25)28-9-23-16(24)11-5-2-3-6-12(11)18-22-23/h2-8,10,21H,9H2,1H3