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

Systemtic Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[(4-methoxycarbonylphenyl)methyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-(4-carbomethoxybenzyl)-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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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)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C(=O)OC)SCCC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5S/c1-3-31-23(29)20-15-25-24(32-14-13-17-7-5-4-6-8-17)26(21(20)27)16-18-9-11-19(12-10-18)22(28)30-2/h4-12,15H,3,13-14,16H2,1-2H3