ethyl (4S)-4-ethyl-6-[2-(2-fluorophenyl)sulfanylethanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-6-[2-(2-fluorophenyl)sulfanylethanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[2-(2-fluorophenyl)sulfanylacetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[2-[(2-fluorophenyl)thio]-1-oxoethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[2-(2-fluorophenyl)sulfanylacetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[[2-[(2-fluorophenyl)thio]acetyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21FN2O5S MolecularWeight: 396.433143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CSC2=CC=CC=C2F)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CSC2=CC=CC=C2F)C(=O)OCC

InChI

InChI=1S/C18H21FN2O5S/c1-3-12-16(17(23)25-4-2)13(21-18(24)20-12)9-26-15(22)10-27-14-8-6-5-7-11(14)19/h5-8,12H,3-4,9-10H2,1-2H3,(H2,20,21,24)/t12-/m0/s1