[3-fluoranyl-4-[5-(4-hexylphenyl)-1,3-thiazol-2-yl]phenyl] heptanoate

Systemtic Name: [3-fluoranyl-4-[5-(4-hexylphenyl)-1,3-thiazol-2-yl]phenyl] heptanoate Openeye Name: [3-fluoro-4-[5-(4-hexylphenyl)thiazol-2-yl]phenyl] heptanoate CAS Name: heptanoic acid [3-fluoro-4-[5-(4-hexylphenyl)-2-thiazolyl]phenyl] ester IUPAC Name: [3-fluoro-4-[5-(4-hexylphenyl)-1,3-thiazol-2-yl]phenyl] heptanoate Traditional Name: enanthic acid [3-fluoro-4-[5-(4-hexylphenyl)thiazol-2-yl]phenyl] ester Formula: C28H34FNO2S MolecularWeight: 467.638463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CN=C(S2)C3=C(C=C(C=C3)OC(=O)CCCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CN=C(S2)C3=C(C=C(C=C3)OC(=O)CCCCCC)F

InChI

InChI=1S/C28H34FNO2S/c1-3-5-7-9-11-21-13-15-22(16-14-21)26-20-30-28(33-26)24-18-17-23(19-25(24)29)32-27(31)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3