ethyl (4S)-6-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(2-bromo-4-chloro-phenoxy)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(2-bromo-4-chlorophenoxy)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(2-bromo-4-chlorophenoxy)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(2-bromo-4-chloro-phenoxy)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18BrClN2O4 MolecularWeight: 417.68212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC2=C(C=C(C=C2)Cl)Br)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC2=C(C=C(C=C2)Cl)Br)C(=O)OCC

InChI

InChI=1S/C16H18BrClN2O4/c1-3-11-14(15(21)23-4-2)12(20-16(22)19-11)8-24-13-6-5-9(18)7-10(13)17/h5-7,11H,3-4,8H2,1-2H3,(H2,19,20,22)/t11-/m0/s1