dimethyl 5-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H23N3O5S/c1-11-16(12(2)22-20(21-11)29-5)6-7-17(24)23-15-9-13(18(25)27-3)8-14(10-15)19(26)28-4/h8-10H,6-7H2,1-5H3,(H,23,24)