[3-fluoranyl-4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] heptanoate

Systemtic Name: [3-fluoranyl-4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] heptanoate Openeye Name: [3-fluoro-4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [3-fluoro-4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [3-fluoro-4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [3-fluoro-4-(6-hexyl-1,3-benzothiazol-2-yl)phenyl] ester Formula: C26H32FNO2S MolecularWeight: 441.601183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N=C(S2)C3=C(C=C(C=C3)OC(=O)CCCCCC)F

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N=C(S2)C3=C(C=C(C=C3)OC(=O)CCCCCC)F

InChI

InChI=1S/C26H32FNO2S/c1-3-5-7-9-11-19-13-16-23-24(17-19)31-26(28-23)21-15-14-20(18-22(21)27)30-25(29)12-10-8-6-4-2/h13-18H,3-12H2,1-2H3