(2R)-2-azaniumyl-3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoate Openeye Name: (2R)-2-azaniumyl-3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoate CAS Name: (2R)-2-ammonio-3-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Traditional Name: (2R)-2-ammonio-3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]propionate Formula: C13H12F3N3O3S MolecularWeight: 347.31289

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)SC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H12F3N3O3S/c1-22-6-2-3-7-9(4-6)18-12(13(14,15)16)19-10(7)23-5-8(17)11(20)21/h2-4,8H,5,17H2,1H3,(H,20,21)/t8-/m0/s1