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

Systemtic Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methyl-phenyl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methyl-benzoyl]amino]propanoate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-6-methylphenyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-6-methylbenzoyl]amino]propanoate Traditional Name: (2S)-2-[[2-[(4,6-dimethoxypyrimidin-2-yl)thio]-6-methyl-benzoyl]amino]propionic acid tert-butyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SC2=NC(=CC(=N2)OC)OC)C(=O)NC(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)SC2=NC(=CC(=N2)OC)OC)C(=O)N[C@@H](C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O5S/c1-12-9-8-10-14(30-20-23-15(27-6)11-16(24-20)28-7)17(12)18(25)22-13(2)19(26)29-21(3,4)5/h8-11,13H,1-7H3,(H,22,25)/t13-/m0/s1