(2R)-2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name: (2R)-2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Openeye Name: (2R)-2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid CAS Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: (2R)-2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid Formula: C14H13F3N2O4S MolecularWeight: 362.32423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N2O4S/c1-6(12(20)21)24-11-7-4-9(22-2)10(23-3)5-8(7)18-13(19-11)14(15,16)17/h4-6H,1-3H3,(H,20,21)/t6-/m1/s1