2-methylsulfanylethyl (4R,5S)-4-(5-bromanylthiophen-2-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(S2)Br

Isomeric SMILES

CSCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(S2)Br

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/h3-4,10-11H,1,5-6H2,2H3,(H2,15,16,18)/t10-,11+/m1/s1