2-[[3-tert-butylsulfanyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[3-tert-butylsulfanyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]propanoic acid Openeye Name: 2-[[3-tert-butylsulfanyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]propanoic acid CAS Name: 2-[[3-(tert-butylthio)-6-(trifluoromethyl)-2-quinoxalinyl]amino]propanoic acid IUPAC Name: 2-[[3-tert-butylsulfanyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]propanoic acid Traditional Name: 2-[[3-(tert-butylthio)-6-(trifluoromethyl)quinoxalin-2-yl]amino]propionic acid Formula: C16H18F3N3O2S MolecularWeight: 373.39323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1SC(C)(C)C

Isomeric SMILES

CC(C(=O)O)NC1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1SC(C)(C)C

InChI

InChI=1S/C16H18F3N3O2S/c1-8(14(23)24)20-12-13(25-15(2,3)4)22-11-7-9(16(17,18)19)5-6-10(11)21-12/h5-8H,1-4H3,(H,20,21)(H,23,24)