ethyl 3-[2-[6-fluoranyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[6-fluoranyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H19F2N3O3S MolecularWeight: 479.498466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19F2N3O3S/c1-2-33-25(32)16-4-3-5-19(12-16)28-22(31)14-34-24-20-13-18(27)10-11-21(20)29-23(30-24)15-6-8-17(26)9-7-15/h3-13H,2,14H2,1H3,(H,28,31)