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

Systemtic Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-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-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-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-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl] ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC

InChI

InChI=1S/C25H25N3O5S/c1-14-16(15(2)27-25(26-14)34-4)9-10-24(30)32-13-23(29)28-19-12-21-18(11-22(19)31-3)17-7-5-6-8-20(17)33-21/h5-8,11-12H,9-10,13H2,1-4H3,(H,28,29)