3-[2-(5-butylthiophen-2-yl)-5-octoxy-phenyl]-1,2-oxazole

Systemtic Name: 3-[2-(5-butylthiophen-2-yl)-5-octoxy-phenyl]-1,2-oxazole Openeye Name: 3-[2-(5-butyl-2-thienyl)-5-octoxy-phenyl]isoxazole CAS Name: 3-[2-(5-butyl-2-thiophenyl)-5-octoxyphenyl]isoxazole IUPAC Name: 3-[2-(5-butylthiophen-2-yl)-5-octoxyphenyl]-1,2-oxazole Traditional Name: 3-[2-(5-butyl-2-thienyl)-5-octoxy-phenyl]isoxazole Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(S2)CCCC)C3=NOC=C3

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(S2)CCCC)C3=NOC=C3

InChI

InChI=1S/C25H33NO2S/c1-3-5-7-8-9-10-17-27-20-12-14-22(23(19-20)24-16-18-28-26-24)25-15-13-21(29-25)11-6-4-2/h12-16,18-19H,3-11,17H2,1-2H3