3-[5-methyl-4-(oxan-2-yloxymethyl)-5H-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 3-[5-methyl-4-(oxan-2-yloxymethyl)-5H-1,3-thiazol-4-yl]benzoic acid Openeye Name: 3-[5-methyl-4-(tetrahydropyran-2-yloxymethyl)-5H-thiazol-4-yl]benzoic acid CAS Name: 3-[5-methyl-4-(2-oxanyloxymethyl)-5H-thiazol-4-yl]benzoic acid IUPAC Name: 3-[5-methyl-4-(oxan-2-yloxymethyl)-5H-1,3-thiazol-4-yl]benzoic acid Traditional Name: 3-[5-methyl-4-(tetrahydropyran-2-yloxymethyl)-2-thiazolin-4-yl]benzoic acid Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N=CS1)(COC2CCCCO2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1C(N=CS1)(COC2CCCCO2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-12-17(18-11-23-12,10-22-15-7-2-3-8-21-15)14-6-4-5-13(9-14)16(19)20/h4-6,9,11-12,15H,2-3,7-8,10H2,1H3,(H,19,20)