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

Systemtic Name: ethyl (4S)-6-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(2S)-2-(4-cyanophenoxy)-1-oxopropoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C(C)OC2=CC=C(C=C2)C#N)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)[C@H](C)OC2=CC=C(C=C2)C#N)C(=O)OCC

InChI

InChI=1S/C20H23N3O6/c1-4-15-17(19(25)27-5-2)16(23-20(26)22-15)11-28-18(24)12(3)29-14-8-6-13(10-21)7-9-14/h6-9,12,15H,4-5,11H2,1-3H3,(H2,22,23,26)/t12-,15-/m0/s1