methyl 2-[[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]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(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CO4)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CO4)C(=O)OC)F

InChI

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