methyl 4-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H17FN2O3S MolecularWeight: 420.456083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN2O3S/c1-29-22(28)16-8-6-15(7-9-16)14-30-23-25-20-5-3-2-4-19(20)21(27)26(23)18-12-10-17(24)11-13-18/h2-13H,14H2,1H3