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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(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 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(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=C(C=C3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

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