[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 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-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C25H27N3O3S/c1-16-10-12-20(13-11-16)28-24(30)23(19-8-6-5-7-9-19)31-22(29)15-14-21-17(2)26-25(32-4)27-18(21)3/h5-13,23H,14-15H2,1-4H3,(H,28,30)