(4-methoxyphenyl) 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: (4-methoxyphenyl) 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: (4-methoxyphenyl) 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]acetic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetic acid (4-methoxyphenyl) ester Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)OC3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)OC3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O3S/c1-3-16-4-13-22-21(14-16)25(28-24(27-22)17-5-7-18(26)8-6-17)32-15-23(29)31-20-11-9-19(30-2)10-12-20/h4-14H,3,15H2,1-2H3