O4-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl] ester O1-ethyl ester IUPAC Name: 4-O-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[[(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl] ester O1-ethyl ester Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7/c1-4-10-14(15(21)24-6-3)11(18-16(22)17-10)9-25-13(20)8-7-12(19)23-5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18,22)/b8-7+/t10-/m0/s1