[(E)-but-2-enyl] (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [(E)-but-2-enyl] (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(E)-but-2-enyl] (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(E)-but-2-enyl] ester Formula: C17H19BrN2O5 MolecularWeight: 411.24716

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)Br)O)OC)C

Isomeric SMILES

C/C=C/COC(=O)C1=C(NC(=O)N[C@H]1C2=CC(=C(C(=C2)Br)O)OC)C

InChI

InChI=1S/C17H19BrN2O5/c1-4-5-6-25-16(22)13-9(2)19-17(23)20-14(13)10-7-11(18)15(21)12(8-10)24-3/h4-5,7-8,14,21H,6H2,1-3H3,(H2,19,20,23)/b5-4+/t14-/m0/s1