methyl (4R,5S)-4-(2-bromanyl-5-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5S)-4-(2-bromanyl-5-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(2-bromo-5-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(2-bromo-5-hydroxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(2-bromo-5-hydroxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2-bromo-5-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=C(C=CC(=C2)O)Br

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=C(C=CC(=C2)O)Br

InChI

InChI=1S/C13H13BrN2O3S/c1-6-10(12(18)19-2)11(16-13(20)15-6)8-5-7(17)3-4-9(8)14/h3-5,10-11,17H,1H2,2H3,(H2,15,16,20)/t10-,11+/m1/s1