methyl 2-[2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O4S/c1-28-19(26)13-24-20(27)16-5-2-3-6-17(16)23-21(24)29-12-4-7-18(25)14-8-10-15(22)11-9-14/h2-3,5-6,8-11H,4,7,12-13H2,1H3