ethyl 4-[[3-(4-methoxyphenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(4-methoxyphenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(4-methoxybenzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(4-methoxyphenyl)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methoxybenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(3-p-anisoyloxyanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C22H21N3O5S/c1-4-29-21(27)18-13-23-22(31-3)25-19(18)24-15-6-5-7-17(12-15)30-20(26)14-8-10-16(28-2)11-9-14/h5-13H,4H2,1-3H3,(H,23,24,25)