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

Systemtic Name: (2-fluorophenyl) 5-butyl-4-(5-undecylpyrimidin-2-yl)thiophene-2-carboxylate Openeye Name: (2-fluorophenyl) 5-butyl-4-(5-undecylpyrimidin-2-yl)thiophene-2-carboxylate CAS Name: 5-butyl-4-(5-undecyl-2-pyrimidinyl)-2-thiophenecarboxylic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 5-butyl-4-(5-undecylpyrimidin-2-yl)thiophene-2-carboxylate Traditional Name: 5-butyl-4-(5-undecylpyrimidin-2-yl)thiophene-2-carboxylic acid (2-fluorophenyl) ester Formula: C30H39FN2O2S MolecularWeight: 510.706263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=C(SC(=C2)C(=O)OC3=CC=CC=C3F)CCCC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=C(SC(=C2)C(=O)OC3=CC=CC=C3F)CCCC

InChI

InChI=1S/C30H39FN2O2S/c1-3-5-7-8-9-10-11-12-13-16-23-21-32-29(33-22-23)24-20-28(36-27(24)19-6-4-2)30(34)35-26-18-15-14-17-25(26)31/h14-15,17-18,20-22H,3-13,16,19H2,1-2H3