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

Systemtic Name: ethyl (4S)-6-[3-(1,3-benzoxazol-2-yl)propanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[3-(1,3-benzoxazol-2-yl)propanoyloxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[3-(1,3-benzoxazol-2-yl)-1-oxopropoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[3-(1,3-benzoxazol-2-yl)propanoyloxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[3-(1,3-benzoxazol-2-yl)propanoyloxymethyl]-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)CCC2=NC3=CC=CC=C3O2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCC2=NC3=CC=CC=C3O2)C(=O)OCC

InChI

InChI=1S/C20H23N3O6/c1-3-12-18(19(25)27-4-2)14(23-20(26)22-12)11-28-17(24)10-9-16-21-13-7-5-6-8-15(13)29-16/h5-8,12H,3-4,9-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1