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

Systemtic Name: ethyl (4S)-6-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-acetyl-1H-pyrrole-2-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4-acetyl-1H-pyrrol-2-yl)-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-acetyl-1H-pyrrole-2-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-acetyl-1H-pyrrole-2-carbonyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=CN2)C(=O)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC(=CN2)C(=O)C)C(=O)OCC

InChI

InChI=1S/C17H21N3O6/c1-4-11-14(16(23)25-5-2)13(20-17(24)19-11)8-26-15(22)12-6-10(7-18-12)9(3)21/h6-7,11,18H,4-5,8H2,1-3H3,(H2,19,20,24)/t11-/m0/s1