(2S)-2-azanyl-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid Openeye Name: (2S)-2-amino-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid CAS Name: (2S)-2-amino-3-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: (2S)-2-amino-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: (2S)-2-amino-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid Formula: C14H14F3N3O4S MolecularWeight: 377.33887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC[C@H](C(=O)O)N)OC

InChI

InChI=1S/C14H14F3N3O4S/c1-23-9-3-6-8(4-10(9)24-2)19-13(14(15,16)17)20-11(6)25-5-7(18)12(21)22/h3-4,7H,5,18H2,1-2H3,(H,21,22)/t7-/m1/s1