3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate

Systemtic Name: 3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Openeye Name: 3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate CAS Name: 3-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoate IUPAC Name: 3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Traditional Name: 3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]propionate Formula: C13H10F3N2O3S- MolecularWeight: 331.29031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)SCCC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)SCCC(=O)[O-]

InChI

InChI=1S/C13H11F3N2O3S/c1-21-7-2-3-8-9(6-7)17-12(13(14,15)16)18-11(8)22-5-4-10(19)20/h2-3,6H,4-5H2,1H3,(H,19,20)/p-1