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

Systemtic Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[(4-ethoxycarbonylphenyl)methyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-(4-carbethoxybenzyl)-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H26N2O5S/c1-3-31-23(29)20-12-10-19(11-13-20)17-27-22(28)21(24(30)32-4-2)16-26-25(27)33-15-14-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15,17H2,1-2H3