methyl (4S)-4-[2,6-bis(fluoranyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-[2,6-bis(fluoranyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,6-difluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,6-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,6-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,6-difluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H12F2N2O2S MolecularWeight: 298.308386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC=C2F)F)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=C(C=CC=C2F)F)C(=O)OC

InChI

InChI=1S/C13H12F2N2O2S/c1-6-9(12(18)19-2)11(17-13(20)16-6)10-7(14)4-3-5-8(10)15/h3-5,11H,1-2H3,(H2,16,17,20)/t11-/m0/s1