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

Systemtic Name: methyl (6R)-6-[3,4-bis(fluoranyl)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(3,4-difluorophenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3,4-difluorophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(3,4-difluorophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3,4-difluorophenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C15H16F2N2O2S MolecularWeight: 326.361546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=C(C=C2)F)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@H](NC1=S)C2=CC(=C(C=C2)F)F)C(=O)OC)C

InChI

InChI=1S/C15H16F2N2O2S/c1-4-19-8(2)12(14(20)21-3)13(18-15(19)22)9-5-6-10(16)11(17)7-9/h5-7,13H,4H2,1-3H3,(H,18,22)/t13-/m1/s1