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

Systemtic Name: ethyl (4S)-4-ethyl-6-[(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-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-ethyl-6-[(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)C(=O)OCC

InChI

InChI=1S/C21H24N4O5S/c1-4-14-17(19(27)29-5-2)15(24-20(28)23-14)12-30-18(26)16-11-22-21(31-3)25(16)13-9-7-6-8-10-13/h6-11,14H,4-5,12H2,1-3H3,(H2,23,24,28)/t14-/m0/s1