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

Systemtic Name: ethyl (4S)-6-[2-(2-cyanophenoxy)ethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-(2-cyanophenoxy)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[2-(2-cyanophenoxy)-1-oxoethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-(2-cyanophenoxy)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-(2-cyanophenoxy)acetyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)COC2=CC=CC=C2C#N)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)COC2=CC=CC=C2C#N)C(=O)OCC

InChI

InChI=1S/C19H21N3O6/c1-3-13-17(18(24)26-4-2)14(22-19(25)21-13)10-28-16(23)11-27-15-8-6-5-7-12(15)9-20/h5-8,13H,3-4,10-11H2,1-2H3,(H2,21,22,25)/t13-/m0/s1