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

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(2-ethoxyanilino)-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-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-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-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C26H29N3O4S/c1-5-32-22-14-10-9-13-21(22)29-25(31)24(19-11-7-6-8-12-19)33-23(30)16-15-20-17(2)27-26(34-4)28-18(20)3/h6-14,24H,5,15-16H2,1-4H3,(H,29,31)