ethyl 6-azanyl-5-cyano-4-(2-fluorophenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(2-fluorophenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(2-fluorophenyl)-2-[[(4-phenyl-2-quinazolinyl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(2-fluorophenyl)-2-[[(4-phenylquinazolin-2-yl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C30H23FN4O3S MolecularWeight: 538.592023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C30H23FN4O3S/c1-2-37-29(36)26-24(38-28(33)21(16-32)25(26)19-12-6-8-14-22(19)31)17-39-30-34-23-15-9-7-13-20(23)27(35-30)18-10-4-3-5-11-18/h3-15,25H,2,17,33H2,1H3