5-(5-butylthiophen-2-yl)-3-(4-octoxyphenyl)-1,2-oxazole

Systemtic Name: 5-(5-butylthiophen-2-yl)-3-(4-octoxyphenyl)-1,2-oxazole Openeye Name: 5-(5-butyl-2-thienyl)-3-(4-octoxyphenyl)isoxazole CAS Name: 5-(5-butyl-2-thiophenyl)-3-(4-octoxyphenyl)isoxazole IUPAC Name: 5-(5-butylthiophen-2-yl)-3-(4-octoxyphenyl)-1,2-oxazole Traditional Name: 5-(5-butyl-2-thienyl)-3-(4-octoxyphenyl)isoxazole Formula: C25H33NO2S MolecularWeight: 411.60002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(S3)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(S3)CCCC

InChI

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