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

Systemtic Name: methyl (4R,5S)-4-(2-chloranyl-6-fluoranyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(2-chloro-6-fluoro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(2-chloro-6-fluorophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(2-chloro-6-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2-chloro-6-fluoro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H12ClFN2O2S MolecularWeight: 314.762983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=C(C=CC=C2Cl)F

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H12ClFN2O2S/c1-6-9(12(18)19-2)11(17-13(20)16-6)10-7(14)4-3-5-8(10)15/h3-5,9,11H,1H2,2H3,(H2,16,17,20)/t9-,11-/m1/s1