methyl (4S,5S)-4-[3-bromanyl-5-ethoxy-4-(2-methylpropoxy)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4S,5S)-4-[3-bromanyl-5-ethoxy-4-(2-methylpropoxy)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5S)-4-(3-bromo-5-ethoxy-4-isobutoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-[3-bromo-5-ethoxy-4-(2-methylpropoxy)phenyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-4-[3-bromo-5-ethoxy-4-(2-methylpropoxy)phenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(3-bromo-5-ethoxy-4-isobutoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC)Br)OCC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OC)Br)OCC(C)C

InChI

InChI=1S/C19H25BrN2O5/c1-6-26-14-8-12(7-13(20)17(14)27-9-10(2)3)16-15(18(23)25-5)11(4)21-19(24)22-16/h7-8,10,15-16H,4,6,9H2,1-3,5H3,(H2,21,22,24)/t15-,16-/m1/s1