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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[2-(2-ketoazepan-1-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H27N3O6 MolecularWeight: 381.42348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CN2CCCCCC2=O)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CN2CCCCCC2=O)C(=O)OCC

InChI

InChI=1S/C18H27N3O6/c1-3-12-16(17(24)26-4-2)13(20-18(25)19-12)11-27-15(23)10-21-9-7-5-6-8-14(21)22/h12H,3-11H2,1-2H3,(H2,19,20,25)/t12-/m0/s1