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

Systemtic Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[(4-ethoxycarbonylphenyl)methyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(4-carbethoxybenzyl)-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CN=C2SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CN=C2SC)C(=O)OCC

InChI

InChI=1S/C18H20N2O5S/c1-4-24-16(22)13-8-6-12(7-9-13)11-20-15(21)14(17(23)25-5-2)10-19-18(20)26-3/h6-10H,4-5,11H2,1-3H3