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

Systemtic Name: ethyl (4S)-6-[2-(4-chloranylphenoxy)ethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-(4-chlorophenoxy)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[2-(4-chlorophenoxy)-1-oxoethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-(4-chlorophenoxy)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-(4-chlorophenoxy)acetyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)COC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)COC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C18H21ClN2O6/c1-3-13-16(17(23)25-4-2)14(21-18(24)20-13)9-27-15(22)10-26-12-7-5-11(19)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H2,20,21,24)/t13-/m0/s1