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

Systemtic Name: 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylbenzoate Openeye Name: 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylbenzoate CAS Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]benzoate IUPAC Name: 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylbenzoate Traditional Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]benzoate Formula: C18H12F3N2O4S- MolecularWeight: 409.35909

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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)/p-1