1-[3-(2-ethoxycarbonylphenyl)-4-oxidanylidene-6-(trifluoromethyl)quinazolin-2-yl]ethanesulfonic acid

Systemtic Name: 1-[3-(2-ethoxycarbonylphenyl)-4-oxidanylidene-6-(trifluoromethyl)quinazolin-2-yl]ethanesulfonic acid Openeye Name: 1-[3-(2-ethoxycarbonylphenyl)-4-oxo-6-(trifluoromethyl)quinazolin-2-yl]ethanesulfonic acid CAS Name: 1-[3-(2-ethoxycarbonylphenyl)-4-oxo-6-(trifluoromethyl)-2-quinazolinyl]ethanesulfonic acid IUPAC Name: 1-[3-(2-ethoxycarbonylphenyl)-4-oxo-6-(trifluoromethyl)quinazolin-2-yl]ethanesulfonic acid Traditional Name: 1-[3-(2-carbethoxyphenyl)-4-keto-6-(trifluoromethyl)quinazolin-2-yl]ethanesulfonic acid Formula: C20H17F3N2O6S MolecularWeight: 470.41899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)C(F)(F)F)N=C2C(C)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)C(F)(F)F)N=C2C(C)S(=O)(=O)O

InChI

InChI=1S/C20H17F3N2O6S/c1-3-31-19(27)13-6-4-5-7-16(13)25-17(11(2)32(28,29)30)24-15-9-8-12(20(21,22)23)10-14(15)18(25)26/h4-11H,3H2,1-2H3,(H,28,29,30)