ethyl (4S)-6-[[1,4-bis(oxidanyl)naphthalen-2-yl]carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[1,4-bis(oxidanyl)naphthalen-2-yl]carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(1,4-dihydroxy-2-naphthalenyl)-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1,4-dihydroxy-2-naphthoyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O)C(=O)OCC

InChI

InChI=1S/C21H22N2O7/c1-3-14-17(20(27)29-4-2)15(23-21(28)22-14)10-30-19(26)13-9-16(24)11-7-5-6-8-12(11)18(13)25/h5-9,14,24-25H,3-4,10H2,1-2H3,(H2,22,23,28)/t14-/m0/s1