1,3-benzodioxol-5-ylmethyl 2-[6-fluoranyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-[6-fluoranyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetic acid piperonyl ester Formula: C24H16F2N2O4S MolecularWeight: 466.456646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)CSC3=NC(=NC4=C3C=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)CSC3=NC(=NC4=C3C=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H16F2N2O4S/c25-16-4-2-15(3-5-16)23-27-19-7-6-17(26)10-18(19)24(28-23)33-12-22(29)30-11-14-1-8-20-21(9-14)32-13-31-20/h1-10H,11-13H2