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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H16FN3O3S MolecularWeight: 397.422743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CCSC3=CC=C(C=C3)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CCSC3=CC=C(C=C3)F)CC#N

InChI

InChI=1S/C20H16FN3O3S/c21-14-5-7-15(8-6-14)28-12-9-19(25)27-13-18-23-17-4-2-1-3-16(17)20(26)24(18)11-10-22/h1-8H,9,11-13H2