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

Systemtic Name: methyl (4R)-4-[3,4-bis(fluoranyl)phenyl]-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(3,4-difluorophenyl)-6-ethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3,4-difluorophenyl)-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(3,4-difluorophenyl)-6-ethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3,4-difluorophenyl)-6-ethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H14F2N2O2S MolecularWeight: 312.334966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F2N2O2S/c1-3-10-11(13(19)20-2)12(18-14(21)17-10)7-4-5-8(15)9(16)6-7/h4-6,12H,3H2,1-2H3,(H2,17,18,21)/t12-/m1/s1