[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H14FN3O3S MolecularWeight: 383.396163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CSC3=CC=CC=C3F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CSC3=CC=CC=C3F)CC#N

InChI

InChI=1S/C19H14FN3O3S/c20-14-6-2-4-8-16(14)27-12-18(24)26-11-17-22-15-7-3-1-5-13(15)19(25)23(17)10-9-21/h1-8H,10-12H2