ethyl (4R)-6-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxymethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxymethyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21BrN2O6S MolecularWeight: 509.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)CSC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)COC(=O)CSC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN2O6S/c1-3-28-20(26)18-14(23-21(27)24-19(18)15-5-4-8-29-15)10-30-17(25)11-31-16-7-6-13(22)9-12(16)2/h4-9,19H,3,10-11H2,1-2H3,(H2,23,24,27)/t19-/m0/s1