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

Systemtic Name: methyl 2-[(2-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-fluorophenyl)methylthio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-fluorobenzyl)thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H17FN2O4S MolecularWeight: 424.444783

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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=C3F)CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC=CO4

InChI

InChI=1S/C22H17FN2O4S/c1-28-21(27)14-8-9-17-19(11-14)24-22(30-13-15-5-2-3-7-18(15)23)25(20(17)26)12-16-6-4-10-29-16/h2-11H,12-13H2,1H3