(2-fluorophenyl) 5-butyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylate

Systemtic Name: (2-fluorophenyl) 5-butyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylate Openeye Name: (2-fluorophenyl) 5-butyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylate CAS Name: 5-butyl-4-(5-octyl-2-pyrimidinyl)-2-thiophenecarboxylic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 5-butyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylate Traditional Name: 5-butyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylic acid (2-fluorophenyl) ester Formula: C27H33FN2O2S MolecularWeight: 468.626523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=C(SC(=C2)C(=O)OC3=CC=CC=C3F)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=C(SC(=C2)C(=O)OC3=CC=CC=C3F)CCCC

InChI

InChI=1S/C27H33FN2O2S/c1-3-5-7-8-9-10-13-20-18-29-26(30-19-20)21-17-25(33-24(21)16-6-4-2)27(31)32-23-15-12-11-14-22(23)28/h11-12,14-15,17-19H,3-10,13,16H2,1-2H3