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

Systemtic Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[(4-methoxycarbonylphenyl)methyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[(4-methoxycarbonylphenyl)methyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[(4-methoxycarbonylphenyl)methyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-(4-carbomethoxybenzyl)-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)CC2=CC=C(C=C2)C(=O)OC)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C(=O)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5S/c1-3-30-22(28)19-13-24-23(31-15-17-7-5-4-6-8-17)25(20(19)26)14-16-9-11-18(12-10-16)21(27)29-2/h4-13H,3,14-15H2,1-2H3