(2S)-4-methylsulfanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butyric acid Formula: C14H14F3N3O2S MolecularWeight: 345.34007

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O2S/c1-23-7-6-10(12(21)22)18-11-8-4-2-3-5-9(8)19-13(20-11)14(15,16)17/h2-5,10H,6-7H2,1H3,(H,21,22)(H,18,19,20)/t10-/m0/s1