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

Systemtic Name: 2-[4-(3-butan-2-yl-4-ethoxy-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(4-ethoxy-3-sec-butyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(3-butan-2-yl-4-ethoxyphenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(3-butan-2-yl-4-ethoxyphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(4-ethoxy-3-sec-butyl-phenyl)thiazol-2-yl]acetic acid Formula: C17H21NO3S MolecularWeight: 319.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-4-11(3)13-8-12(6-7-15(13)21-5-2)14-10-22-16(18-14)9-17(19)20/h6-8,10-11H,4-5,9H2,1-3H3,(H,19,20)