4-(2-methylphenyl)-5-oxidanylidene-2-[3-(1,2-thiazol-3-ylmethoxy)phenyl]pentanoic acid

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-2-[3-(1,2-thiazol-3-ylmethoxy)phenyl]pentanoic acid Openeye Name: 2-[3-(isothiazol-3-ylmethoxy)phenyl]-4-(o-tolyl)-5-oxo-pentanoic acid CAS Name: 2-[3-(3-isothiazolylmethoxy)phenyl]-4-(2-methylphenyl)-5-oxopentanoic acid IUPAC Name: 4-(2-methylphenyl)-5-oxo-2-[3-(1,2-thiazol-3-ylmethoxy)phenyl]pentanoic acid Traditional Name: 2-[3-(isothiazol-3-ylmethoxy)phenyl]-5-keto-4-(o-tolyl)valeric acid Formula: C22H21NO4S MolecularWeight: 395.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(C2=CC(=CC=C2)OCC3=NSC=C3)C(=O)O)C=O

Isomeric SMILES

CC1=CC=CC=C1C(CC(C2=CC(=CC=C2)OCC3=NSC=C3)C(=O)O)C=O

InChI

InChI=1S/C22H21NO4S/c1-15-5-2-3-8-20(15)17(13-24)12-21(22(25)26)16-6-4-7-19(11-16)27-14-18-9-10-28-23-18/h2-11,13,17,21H,12,14H2,1H3,(H,25,26)