[3-fluoranyl-4-(5-pentylthiophen-2-yl)phenyl] (E)-hept-2-enoate

Systemtic Name: [3-fluoranyl-4-(5-pentylthiophen-2-yl)phenyl] (E)-hept-2-enoate Openeye Name: [3-fluoro-4-(5-pentyl-2-thienyl)phenyl] (E)-hept-2-enoate CAS Name: (E)-2-heptenoic acid [3-fluoro-4-(5-pentyl-2-thiophenyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-pentylthiophen-2-yl)phenyl] (E)-hept-2-enoate Traditional Name: (E)-hept-2-enoic acid [4-(5-amyl-2-thienyl)-3-fluoro-phenyl] ester Formula: C22H27FO2S MolecularWeight: 374.511983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(S1)C2=C(C=C(C=C2)OC(=O)C=CCCCC)F

Isomeric SMILES

CCCCCC1=CC=C(S1)C2=C(C=C(C=C2)OC(=O)/C=C/CCCC)F

InChI

InChI=1S/C22H27FO2S/c1-3-5-7-9-11-22(24)25-17-12-14-19(20(23)16-17)21-15-13-18(26-21)10-8-6-4-2/h9,11-16H,3-8,10H2,1-2H3/b11-9+