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

Systemtic Name: 3-[2-[6-fluoranyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid Formula: C23H15F2N3O3S MolecularWeight: 451.445306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C23H15F2N3O3S/c24-15-6-4-13(5-7-15)21-27-19-9-8-16(25)11-18(19)22(28-21)32-12-20(29)26-17-3-1-2-14(10-17)23(30)31/h1-11H,12H2,(H,26,29)(H,30,31)