(2S)-2-azanyl-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid Openeye Name: (2S)-2-amino-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanoic acid CAS Name: (2S)-2-amino-3-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid IUPAC Name: (2S)-2-amino-3-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: (2S)-2-amino-3-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid Formula: C12H10F3N3O2S MolecularWeight: 317.28691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC[C@H](C(=O)O)N

InChI

InChI=1S/C12H10F3N3O2S/c13-12(14,15)11-17-8-4-2-1-3-6(8)9(18-11)21-5-7(16)10(19)20/h1-4,7H,5,16H2,(H,19,20)/t7-/m1/s1