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

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-ethoxycarbonylphenyl)methyl]-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-ethoxycarbonylphenyl)methyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[(4-ethoxycarbonylphenyl)methyl]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-ethoxycarbonylphenyl)methyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(4-carbethoxybenzyl)-2-[(2-chlorobenzyl)thio]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H23ClN2O5S MolecularWeight: 486.96782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C24H23ClN2O5S/c1-3-31-22(29)17-11-9-16(10-12-17)14-27-21(28)19(23(30)32-4-2)13-26-24(27)33-15-18-7-5-6-8-20(18)25/h5-13H,3-4,14-15H2,1-2H3