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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=CC(=NO2)C3=CC=C(S3)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=CC(=NO2)C3=CC=C(S3)CCCC

InChI

InChI=1S/C25H33NO2S/c1-3-5-7-8-9-12-18-27-23-15-11-10-14-21(23)24-19-22(26-28-24)25-17-16-20(29-25)13-6-4-2/h10-11,14-17,19H,3-9,12-13,18H2,1-2H3