ethyl (4R,5S,6E)-4-(2-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-oxidanylidene-6-propylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4R,5S,6E)-4-(2-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-oxidanylidene-6-propylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6E)-4-(2-bromo-4-ethoxy-5-methoxy-phenyl)-2-oxo-6-propylidene-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6E)-4-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-oxo-6-propylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6E)-4-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-oxo-6-propylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6E)-4-(2-bromo-4-ethoxy-5-methoxy-phenyl)-2-keto-6-propylidene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=O)N1)C2=CC(=C(C=C2Br)OCC)OC)C(=O)OCC

Isomeric SMILES

CC/C=C/1\[C@H]([C@@H](NC(=O)N1)C2=CC(=C(C=C2Br)OCC)OC)C(=O)OCC

InChI

InChI=1S/C19H25BrN2O5/c1-5-8-13-16(18(23)27-7-3)17(22-19(24)21-13)11-9-14(25-4)15(26-6-2)10-12(11)20/h8-10,16-17H,5-7H2,1-4H3,(H2,21,22,24)/b13-8+/t16-,17+/m1/s1