O5-ethyl O1-phenyl (4S)-6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-1,5-dicarboxylate

Systemtic Name: O5-ethyl O1-phenyl (4S)-6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-1,5-dicarboxylate Openeye Name: O5-ethyl O1-phenyl (4S)-6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-1,5-dicarboxylate CAS Name: (4S)-6-methyl-2-(methylthio)-4-phenyl-4H-pyrimidine-1,5-dicarboxylic acid O5-ethyl ester O1-phenyl ester IUPAC Name: 5-O-ethyl 1-O-phenyl (4S)-6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-1,5-dicarboxylate Traditional Name: (4S)-6-methyl-2-(methylthio)-4-phenyl-4H-pyrimidine-1,5-dicarboxylic acid O5-ethyl ester O1-phenyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=CC=C2)SC)C(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N[C@H]1C2=CC=CC=C2)SC)C(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O4S/c1-4-27-20(25)18-15(2)24(22(26)28-17-13-9-6-10-14-17)21(29-3)23-19(18)16-11-7-5-8-12-16/h5-14,19H,4H2,1-3H3/t19-/m0/s1