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

Systemtic Name: methyl (4S)-4-(2-chloranyl-6-fluoranyl-phenyl)-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-chloro-6-fluoro-phenyl)-6-ethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chloro-6-fluorophenyl)-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-chloro-6-fluorophenyl)-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chloro-6-fluoro-phenyl)-6-ethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H14ClFN2O2S MolecularWeight: 328.789563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1)C2=C(C=CC=C2Cl)F)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1)C2=C(C=CC=C2Cl)F)C(=O)OC

InChI

InChI=1S/C14H14ClFN2O2S/c1-3-9-11(13(19)20-2)12(18-14(21)17-9)10-7(15)5-4-6-8(10)16/h4-6,12H,3H2,1-2H3,(H2,17,18,21)/t12-/m1/s1