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

Systemtic Name: methyl 3-[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H14ClFN2O4S MolecularWeight: 444.863263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H14ClFN2O4S/c1-28-20(27)18-12(8-9-29-18)11-30-21-24-17-5-3-2-4-14(17)19(26)25(21)13-6-7-16(23)15(22)10-13/h2-10H,11H2,1H3