ethyl 6-[[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[3-(azepan-1-ylsulfonyl)phenyl]carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[3-(azepan-1-ylsulfonyl)benzoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H31N3O7S MolecularWeight: 493.57314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C(=O)OCC

InChI

InChI=1S/C23H31N3O7S/c1-3-18-20(22(28)32-4-2)19(25-23(29)24-18)15-33-21(27)16-10-9-11-17(14-16)34(30,31)26-12-7-5-6-8-13-26/h9-11,14,18H,3-8,12-13,15H2,1-2H3,(H2,24,25,29)