(2S)-2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate

Systemtic Name: (2S)-2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Openeye Name: (2S)-2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate CAS Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoate IUPAC Name: (2S)-2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]thio]propionate Formula: C13H10F3N2O2S- MolecularWeight: 315.29091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SC(C)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2S[C@@H](C)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2S/c1-6-3-4-9-8(5-6)10(21-7(2)11(19)20)18-12(17-9)13(14,15)16/h3-5,7H,1-2H3,(H,19,20)/p-1/t7-/m0/s1