methyl (4R,5R)-4-(2-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5R)-4-(2-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5R)-4-(2-fluorophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(2-fluorophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R)-4-(2-fluorophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-(2-fluorophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H13FN2O2S MolecularWeight: 280.317923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2F

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](NC(=S)NC1=C)C2=CC=CC=C2F

InChI

InChI=1S/C13H13FN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-5-3-4-6-9(8)14/h3-6,10-11H,1H2,2H3,(H2,15,16,19)/t10-,11-/m0/s1