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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN2O2S/c1-9(2)8-21-15(20)13-10(3)18-16(22)19-14(13)11-4-6-12(17)7-5-11/h4-7,9,13-14H,3,8H2,1-2H3,(H2,18,19,22)/t13-,14+/m1/s1