(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H16N4O4S MolecularWeight: 444.46254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H16N4O4S/c28-21-17-9-3-4-10-18(17)25-26-27(21)14-30-22(29)16-8-2-1-7-15(16)13-32-23-24-19-11-5-6-12-20(19)31-23/h1-12H,13-14H2