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

Systemtic Name: ethyl (4S)-6-[2-(4-bromophenyl)sulfanylethanoyloxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-(4-bromophenyl)sulfanylacetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[2-[(4-bromophenyl)thio]-1-oxoethoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-(4-bromophenyl)sulfanylacetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-[(4-bromophenyl)thio]acetyl]oxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19BrN2O5S MolecularWeight: 443.31216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN2O5S/c1-3-24-16(22)15-10(2)19-17(23)20-13(15)8-25-14(21)9-26-12-6-4-11(18)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,19,20,23)/t10-/m0/s1