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

Systemtic Name: ethyl (4S)-4-[2,4-bis(fluoranyl)phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2,4-difluorophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,4-difluorophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2,4-difluorophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,4-difluorophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18F2N2O2S MolecularWeight: 340.388126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=C(C=C(C=C2)F)F)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=C(C=C(C=C2)F)F)C(=O)OCC

InChI

InChI=1S/C16H18F2N2O2S/c1-3-5-12-13(15(21)22-4-2)14(20-16(23)19-12)10-7-6-9(17)8-11(10)18/h6-8,14H,3-5H2,1-2H3,(H2,19,20,23)/t14-/m1/s1