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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)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-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H14N4O3S MolecularWeight: 414.43656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H14N4O3S/c27-21-16-9-3-4-10-17(16)24-25-26(21)13-29-22(28)15-8-2-1-7-14(15)20-23-18-11-5-6-12-19(18)30-20/h1-12H,13H2