[1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(2-methoxyanilino)-1-methyl-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 [1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C20H25N3O4S/c1-12-15(13(2)22-20(21-12)28-5)10-11-18(24)27-14(3)19(25)23-16-8-6-7-9-17(16)26-4/h6-9,14H,10-11H2,1-5H3,(H,23,25)