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

Systemtic Name: ethyl 6-oxidanylidene-1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 6-oxo-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-[2-(phenylthio)anilino]ethyl]-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C29H27N3O4S2 MolecularWeight: 545.67238

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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)SCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)SCCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O4S2/c1-2-36-28(35)23-19-30-29(37-18-17-21-11-5-3-6-12-21)32(27(23)34)20-26(33)31-24-15-9-10-16-25(24)38-22-13-7-4-8-14-22/h3-16,19H,2,17-18,20H2,1H3,(H,31,33)