methyl 3-(3,4-dimethoxyphenyl)-3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]propionic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H29N3O5S/c1-13-16(14(2)24-22(23-13)31-6)8-10-20(26)25-17(12-21(27)30-5)15-7-9-18(28-3)19(11-15)29-4/h7,9,11,17H,8,10,12H2,1-6H3,(H,25,26)