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

Systemtic Name: ethyl 6-oxidanylidene-1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-[2-keto-2-[2-(phenylthio)anilino]ethyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C28H25N3O4S2 MolecularWeight: 531.6458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O4S2/c1-2-35-27(34)22-17-29-28(36-19-20-11-5-3-6-12-20)31(26(22)33)18-25(32)30-23-15-9-10-16-24(23)37-21-13-7-4-8-14-21/h3-17H,2,18-19H2,1H3,(H,30,32)