ethyl 2-methylsulfanyl-4-[[3-(phenylcarbonyloxy)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(phenylcarbonyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-benzoyloxyanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3-benzoyloxyanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-benzoyloxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-benzoyloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-3-27-20(26)17-13-22-21(29-2)24-18(17)23-15-10-7-11-16(12-15)28-19(25)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,22,23,24)