(4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H16N2O5S/c1-26(23,24)11-12-5-4-6-13(9-12)18(22)25-10-16-19-15-8-3-2-7-14(15)17(21)20-16/h2-9H,10-11H2,1H3,(H,19,20,21)