ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-6-oxo-1-[2-oxo-2-(4-phenoxyanilino)ethyl]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-oxo-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-6-oxo-1-[2-oxo-2-(4-phenoxyanilino)ethyl]pyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(4-phenoxyanilino)ethyl]-2-(methylthio)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(C1=O)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)SC

InChI

InChI=1S/C22H21N3O5S/c1-3-29-21(28)18-13-23-22(31-2)25(20(18)27)14-19(26)24-15-9-11-17(12-10-15)30-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,24,26)