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

Systemtic Name: ethyl 4-[[3-(4-methylphenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(4-methylbenzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(4-methylphenyl)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methylbenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(3-p-toluoyloxyanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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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)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-4-28-21(27)18-13-23-22(30-3)25-19(18)24-16-6-5-7-17(12-16)29-20(26)15-10-8-14(2)9-11-15/h5-13H,4H2,1-3H3,(H,23,24,25)