[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H16FN3O4S MolecularWeight: 437.443543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CSC3=CC=CC=[N+]3[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O4S/c23-15-8-10-16(11-9-15)26-19(24-18-6-2-1-5-17(18)22(26)28)13-30-21(27)14-31-20-7-3-4-12-25(20)29/h1-12H,13-14H2