[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methylsulfonylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methylsulfonylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C19H15N3O5S/c1-28(25,26)14-8-6-13(7-9-14)19(24)27-12-17-21-16-5-3-2-4-15(16)18(23)22(17)11-10-20/h2-9H,11-12H2,1H3