ethyl (4S)-4-methyl-6-[(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-6-[(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-6-[(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-6-[[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-6-[(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-methyl-6-[[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C20H22N4O5S/c1-4-28-18(26)16-12(2)22-19(27)23-14(16)11-29-17(25)15-10-21-20(30-3)24(15)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H2,22,23,27)/t12-/m0/s1