3-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 3-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]benzoic acid Openeye Name: 3-[4-(2,5-dimethyl-3-furyl)thiazol-2-yl]benzoic acid CAS Name: 3-[4-(2,5-dimethyl-3-furanyl)-2-thiazolyl]benzoic acid IUPAC Name: 3-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]benzoic acid Traditional Name: 3-[4-(2,5-dimethyl-3-furyl)thiazol-2-yl]benzoic acid Formula: C16H13NO3S MolecularWeight: 299.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=CSC(=N2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C2=CSC(=N2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H13NO3S/c1-9-6-13(10(2)20-9)14-8-21-15(17-14)11-4-3-5-12(7-11)16(18)19/h3-8H,1-2H3,(H,18,19)