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

Systemtic Name: ethyl (4S)-6-[2-(1,2-benzoxazol-3-yl)ethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-(1,2-benzoxazol-3-yl)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[2-(1,2-benzoxazol-3-yl)-1-oxoethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-(1,2-benzoxazol-3-yl)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[(2-indoxazen-3-ylacetyl)oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CC2=NOC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CC2=NOC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C19H21N3O6/c1-3-12-17(18(24)26-4-2)14(21-19(25)20-12)10-27-16(23)9-13-11-7-5-6-8-15(11)28-22-13/h5-8,12H,3-4,9-10H2,1-2H3,(H2,20,21,25)/t12-/m0/s1