2-[3-(4-fluorophenyl)-7-(furan-2-ylmethylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-fluorophenyl)-7-(furan-2-ylmethylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(4-fluorophenyl)-7-(2-furylmethylcarbamoyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(4-fluorophenyl)-7-[(2-furanylmethylamino)-oxomethyl]-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-(4-fluorophenyl)-7-(furan-2-ylmethylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(4-fluorophenyl)-7-(2-furfurylcarbamoyl)-4-keto-quinazolin-2-yl]thio]acetic acid Formula: C22H16FN3O5S MolecularWeight: 453.442943

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O5S/c23-14-4-6-15(7-5-14)26-21(30)17-8-3-13(20(29)24-11-16-2-1-9-31-16)10-18(17)25-22(26)32-12-19(27)28/h1-10H,11-12H2,(H,24,29)(H,27,28)