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

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(4-ethoxyanilino)-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-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-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-(p-phenetidino)ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

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