[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H12FN3O3S MolecularWeight: 393.390983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC4=C(C=CC=C4S3)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC4=C(C=CC=C4S3)F)CC#N

InChI

InChI=1S/C20H12FN3O3S/c21-14-5-3-7-16-13(14)10-17(28-16)20(26)27-11-18-23-15-6-2-1-4-12(15)19(25)24(18)9-8-22/h1-7,10H,9,11H2