ethyl 6-oxidanylidene-2-(phenylmethylsulfanyl)-1-[(4-propan-2-yloxycarbonylphenyl)methyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-2-(phenylmethylsulfanyl)-1-[(4-propan-2-yloxycarbonylphenyl)methyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[(4-isopropoxycarbonylphenyl)methyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[[4-[oxo(propan-2-yloxy)methyl]phenyl]methyl]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1-[(4-propan-2-yloxycarbonylphenyl)methyl]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-(4-isopropoxycarbonylbenzyl)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C(=O)OC(C)C)SCC3=CC=CC=C3

InChI

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