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

Systemtic Name: (2-fluorophenyl) 5-octyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylate Openeye Name: (2-fluorophenyl) 5-octyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylate CAS Name: 5-octyl-4-(5-octyl-2-pyrimidinyl)-2-thiophenecarboxylic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 5-octyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylate Traditional Name: 5-octyl-4-(5-octylpyrimidin-2-yl)thiophene-2-carboxylic acid (2-fluorophenyl) ester Formula: C31H41FN2O2S MolecularWeight: 524.732843

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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)CCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H41FN2O2S/c1-3-5-7-9-11-13-17-24-22-33-30(34-23-24)25-21-29(31(35)36-27-19-16-15-18-26(27)32)37-28(25)20-14-12-10-8-6-4-2/h15-16,18-19,21-23H,3-14,17,20H2,1-2H3