[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-11-15(12(2)22-20(21-11)29-4)6-8-19(27)28-10-18(26)14-5-7-17(25)16(9-14)23-13(3)24/h5,7,9,25H,6,8,10H2,1-4H3,(H,23,24)