methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)N[C@@H](CCSC)C(=O)OC)OC

InChI

InChI=1S/C19H23N3O6S/c1-25-15-11-16(26-2)22-19(21-15)28-14-8-6-5-7-12(14)17(23)20-13(9-10-29-4)18(24)27-3/h5-8,11,13H,9-10H2,1-4H3,(H,20,23)/t13-/m0/s1