3-[2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]benzoic acid Formula: C23H16FN3O3S MolecularWeight: 433.454843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=N2)SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=N2)SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H16FN3O3S/c24-16-9-10-19-18(12-16)22(27-21(26-19)14-5-2-1-3-6-14)31-13-20(28)25-17-8-4-7-15(11-17)23(29)30/h1-12H,13H2,(H,25,28)(H,29,30)