methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C22H20ClFN2O4S MolecularWeight: 462.921603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)CC4CCCO4

InChI

InChI=1S/C22H20ClFN2O4S/c1-29-21(28)13-5-7-17-19(9-13)25-22(26(20(17)27)11-16-3-2-8-30-16)31-12-14-4-6-15(24)10-18(14)23/h4-7,9-10,16H,2-3,8,11-12H2,1H3