2-[4-(2-ethoxy-5-octyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(2-ethoxy-5-octyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(2-ethoxy-5-octyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(2-ethoxy-5-octylphenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(2-ethoxy-5-octylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(2-ethoxy-5-octyl-phenyl)thiazol-2-yl]acetic acid Formula: C21H29NO3S MolecularWeight: 375.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OCC)C2=CSC(=N2)CC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OCC)C2=CSC(=N2)CC(=O)O

InChI

InChI=1S/C21H29NO3S/c1-3-5-6-7-8-9-10-16-11-12-19(25-4-2)17(13-16)18-15-26-20(22-18)14-21(23)24/h11-13,15H,3-10,14H2,1-2H3,(H,23,24)