(2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name: (2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Openeye Name: (2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid CAS Name: (2S)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: (2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid Formula: C12H9F3N2O2S MolecularWeight: 302.27227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2S/c1-6(10(18)19)20-9-7-4-2-3-5-8(7)16-11(17-9)12(13,14)15/h2-6H,1H3,(H,18,19)/t6-/m0/s1