ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[(4-ethoxycarbonylphenyl)methyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[(4-ethoxycarbonylphenyl)methyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[(4-ethoxycarbonylphenyl)methyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-(4-carbethoxybenzyl)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H24N2O5S/c1-3-30-22(28)19-12-10-17(11-13-19)15-26-21(27)20(23(29)31-4-2)14-25-24(26)32-16-18-8-6-5-7-9-18/h5-14H,3-4,15-16H2,1-2H3