1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-methylsulfonylbenzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-methylsulfonylbenzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O5S/c1-11(16-19-15-9-4-3-8-14(15)17(21)20-16)25-18(22)12-6-5-7-13(10-12)26(2,23)24/h3-11H,1-2H3,(H,19,20,21)