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

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-methoxycarbonylphenyl)methyl]-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-methoxycarbonylphenyl)methyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[(4-methoxycarbonylphenyl)methyl]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-[(4-methoxycarbonylphenyl)methyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(4-carbomethoxybenzyl)-2-[(2-chlorobenzyl)thio]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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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=C3Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C(=O)OC)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H21ClN2O5S/c1-3-31-22(29)18-12-25-23(32-14-17-6-4-5-7-19(17)24)26(20(18)27)13-15-8-10-16(11-9-15)21(28)30-2/h4-12H,3,13-14H2,1-2H3