ethyl (4S)-4-(4-bromanyl-2-fluoranyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-bromanyl-2-fluoranyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-bromo-2-fluoro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-bromo-2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-bromo-2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-bromo-2-fluoro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14BrFN2O2S MolecularWeight: 373.240563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C14H14BrFN2O2S/c1-3-20-13(19)11-7(2)17-14(21)18-12(11)9-5-4-8(15)6-10(9)16/h4-6,12H,3H2,1-2H3,(H2,17,18,21)/t12-/m1/s1