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

Systemtic Name: ethyl (4S)-4-ethyl-6-[[(2E,4E)-hexa-2,4-dienoyl]oxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[(2E,4E)-hexa-2,4-dienoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[(2E,4E)-1-oxohexa-2,4-dienoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[(2E,4E)-hexa-2,4-dienoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[[(2E,4E)-hexa-2,4-dienoyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-4-7-8-9-13(19)23-10-12-14(15(20)22-6-3)11(5-2)17-16(21)18-12/h4,7-9,11H,5-6,10H2,1-3H3,(H2,17,18,21)/b7-4+,9-8+/t11-/m0/s1