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

Systemtic Name: methyl 3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: methyl 3-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 3-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 3-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]benzoic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-11-15(12(2)20-18(19-11)25-4)8-9-16(22)21-14-7-5-6-13(10-14)17(23)24-3/h5-7,10H,8-9H2,1-4H3,(H,21,22)