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

Systemtic Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[(3-fluorophenyl)methylthio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 2-[(3-fluorobenzyl)thio]-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O4S/c1-28-21(27)15-7-8-18-19(11-15)24-22(30-13-14-4-2-5-16(23)10-14)25(20(18)26)12-17-6-3-9-29-17/h2,4-5,7-8,10-11,17H,3,6,9,12-13H2,1H3