(2S)-2-azaniumyl-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]propionate Formula: C14H14F3N3O4S MolecularWeight: 377.33887

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(C(=O)[O-])[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC[C@H](C(=O)[O-])[NH3+])OC

InChI

InChI=1S/C14H14F3N3O4S/c1-23-9-3-6-8(4-10(9)24-2)19-13(14(15,16)17)20-11(6)25-5-7(18)12(21)22/h3-4,7H,5,18H2,1-2H3,(H,21,22)/t7-/m1/s1