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

Systemtic Name: ethyl 6-[2-(4-bromophenyl)sulfanylethanoyloxymethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(4-bromophenyl)sulfanylacetyl]oxymethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-[(4-bromophenyl)thio]-1-oxoethoxy]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(4-bromophenyl)sulfanylacetyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-[(4-bromophenyl)thio]acetyl]oxymethyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O6S/c1-2-27-19(25)17-14(22-20(26)23-18(17)15-4-3-9-28-15)10-29-16(24)11-30-13-7-5-12(21)6-8-13/h3-9,18H,2,10-11H2,1H3,(H2,22,23,26)