(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C22H18N4O6S/c1-30-17-10-14(16(11-18(17)31-2)23-20(27)19-8-5-9-33-19)22(29)32-12-26-21(28)13-6-3-4-7-15(13)24-25-26/h3-11H,12H2,1-2H3,(H,23,27)