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

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-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-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-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-methoxy-5-methyl-anilino)ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

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