ethyl (2S)-2-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanoate

Systemtic Name: ethyl (2S)-2-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanoate Openeye Name: ethyl (2S)-2-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetate CAS Name: (2S)-2-phenyl-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-phenyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate Traditional Name: (2S)-2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetic acid ethyl ester Formula: C19H15F3N2O2S MolecularWeight: 392.39481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O2S/c1-2-26-17(25)15(12-8-4-3-5-9-12)27-16-13-10-6-7-11-14(13)23-18(24-16)19(20,21)22/h3-11,15H,2H2,1H3/t15-/m0/s1