tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-fluoranyl-phenyl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-fluoranyl-phenyl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-fluoro-benzoyl]amino]propanoate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-6-fluorophenyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-fluorobenzoyl]amino]propanoate Traditional Name: (2S)-2-[[2-[(4,6-dimethoxypyrimidin-2-yl)thio]-6-fluoro-benzoyl]amino]propionic acid tert-butyl ester Formula: C20H24FN3O5S MolecularWeight: 437.485063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C1=C(C=CC=C1SC2=NC(=CC(=N2)OC)OC)F

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(C=CC=C1SC2=NC(=CC(=N2)OC)OC)F

InChI

InChI=1S/C20H24FN3O5S/c1-11(18(26)29-20(2,3)4)22-17(25)16-12(21)8-7-9-13(16)30-19-23-14(27-5)10-15(24-19)28-6/h7-11H,1-6H3,(H,22,25)/t11-/m0/s1