ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 1-(2-benzyloxy-2-oxo-ethyl)-2-benzylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)pyrimidine-5-carboxylate Traditional Name: 1-(2-benzoxy-2-keto-ethyl)-2-(benzylthio)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5S/c1-2-29-22(28)19-13-24-23(31-16-18-11-7-4-8-12-18)25(21(19)27)14-20(26)30-15-17-9-5-3-6-10-17/h3-13H,2,14-16H2,1H3