4-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid Formula: C23H16FN3O4S MolecularWeight: 449.454243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H16FN3O4S/c24-15-7-11-17(12-8-15)27-21(29)18-3-1-2-4-19(18)26-23(27)32-13-20(28)25-16-9-5-14(6-10-16)22(30)31/h1-12H,13H2,(H,25,28)(H,30,31)