methyl 5-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H17FN2O4S MolecularWeight: 424.444783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C(=O)OC

InChI

InChI=1S/C22H17FN2O4S/c1-13-18(21(27)28-2)11-16(29-13)12-30-22-24-19-6-4-3-5-17(19)20(26)25(22)15-9-7-14(23)8-10-15/h3-11H,12H2,1-2H3