2-methylsulfanylethyl (4S)-4-(5-bromanylthiophen-2-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (4S)-4-(5-bromanylthiophen-2-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4S)-4-(5-bromo-2-thienyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(5-bromo-2-thiophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4S)-4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(5-bromo-2-thienyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C13H15BrN2O3S2 MolecularWeight: 391.3038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(S2)Br)C(=O)OCCSC

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC=C(S2)Br)C(=O)OCCSC

InChI

InChI=1S/C13H15BrN2O3S2/c1-7-10(12(17)19-5-6-20-2)11(16-13(18)15-7)8-3-4-9(14)21-8/h3-4,11H,5-6H2,1-2H3,(H2,15,16,18)/t11-/m1/s1