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

Systemtic Name: ethyl 6-oxidanylidene-1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(4-phenoxyanilino)ethyl]pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(4-phenoxyanilino)ethyl]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-[2-keto-2-(4-phenoxyanilino)ethyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C28H25N3O5S MolecularWeight: 515.5802

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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)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O5S/c1-2-35-27(34)24-17-29-28(37-19-20-9-5-3-6-10-20)31(26(24)33)18-25(32)30-21-13-15-23(16-14-21)36-22-11-7-4-8-12-22/h3-17H,2,18-19H2,1H3,(H,30,32)