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

Systemtic Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-fluorophenyl)methylthio]-3-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(3-fluorobenzyl)thio]-4-keto-3-(2-methoxyethyl)quinazoline-7-carboxylic acid methyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)F

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H19FN2O4S/c1-26-9-8-23-18(24)16-7-6-14(19(25)27-2)11-17(16)22-20(23)28-12-13-4-3-5-15(21)10-13/h3-7,10-11H,8-9,12H2,1-2H3