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

Systemtic Name: 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylbenzoic acid Openeye Name: 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylbenzoic acid CAS Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]benzoic acid IUPAC Name: 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylbenzoic acid Traditional Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]benzoic acid Formula: C18H13F3N2O4S MolecularWeight: 410.36703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C18H13F3N2O4S/c1-26-12-7-10-11(8-13(12)27-2)22-17(18(19,20)21)23-15(10)28-14-6-4-3-5-9(14)16(24)25/h3-8H,1-2H3,(H,24,25)