2-[4-(4-fluorophenyl)-2-(3-methylbutanoylamino)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-(4-fluorophenyl)-2-(3-methylbutanoylamino)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-(4-fluorophenyl)-2-(3-methylbutanoylamino)thiazol-5-yl]acetic acid CAS Name: 2-[4-(4-fluorophenyl)-2-[(3-methyl-1-oxobutyl)amino]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-fluorophenyl)-2-(3-methylbutanoylamino)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-(4-fluorophenyl)-2-(isovalerylamino)thiazol-5-yl]acetic acid Formula: C16H17FN2O3S MolecularWeight: 336.381183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=C(S1)CC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=C(S1)CC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN2O3S/c1-9(2)7-13(20)18-16-19-15(12(23-16)8-14(21)22)10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,21,22)(H,18,19,20)