ethyl (4R,5S,6E)-4-(4-fluorophenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4R,5S,6E)-4-(4-fluorophenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6E)-4-(4-fluorophenyl)-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6E)-4-(4-fluorophenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6E)-4-(4-fluorophenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6E)-4-(4-fluorophenyl)-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19FN2O2S MolecularWeight: 322.397663

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=S)N1)C2=CC=C(C=C2)F)C(=O)OCC

Isomeric SMILES

CC/C=C/1\[C@H]([C@@H](NC(=S)N1)C2=CC=C(C=C2)F)C(=O)OCC

InChI

InChI=1S/C16H19FN2O2S/c1-3-5-12-13(15(20)21-4-2)14(19-16(22)18-12)10-6-8-11(17)9-7-10/h5-9,13-14H,3-4H2,1-2H3,(H2,18,19,22)/b12-5+/t13-,14+/m1/s1