(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H14N4O5S2 MolecularWeight: 442.46826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H14N4O5S2/c24-18-13-6-1-3-8-15(13)20-22-23(18)12-28-19(25)14-7-2-4-9-16(14)21-30(26,27)17-10-5-11-29-17/h1-11,21H,12H2