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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(methylsulfinylmethyl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1=CC=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CS(=O)CC1=CC=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H15N3O4S/c1-25(23)10-12-5-4-6-13(9-12)17(22)24-11-20-16(21)14-7-2-3-8-15(14)18-19-20/h2-9H,10-11H2,1H3