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

Systemtic Name: methyl (6R)-6-[3,4-bis(fluoranyl)phenyl]-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-allyl-6-(3,4-difluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3,4-difluorophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(3,4-difluorophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-allyl-6-(3,4-difluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H16F2N2O2S MolecularWeight: 338.372246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC=C)C2=CC(=C(C=C2)F)F)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CC=C)C2=CC(=C(C=C2)F)F)C(=O)OC

InChI

InChI=1S/C16H16F2N2O2S/c1-4-7-20-9(2)13(15(21)22-3)14(19-16(20)23)10-5-6-11(17)12(18)8-10/h4-6,8,14H,1,7H2,2-3H3,(H,19,23)/t14-/m1/s1