2-(2-hexoxy-3-methoxy-phenyl)-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-(2-hexoxy-3-methoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(2-hexoxy-3-methoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(2-hexoxy-3-methoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(2-hexoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(2-hexoxy-3-methoxy-phenyl)thiazole-4-carboxylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC=C1OC)C2=NC(=CS2)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=CC=C1OC)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-3-4-5-6-10-22-15-12(8-7-9-14(15)21-2)16-18-13(11-23-16)17(19)20/h7-9,11H,3-6,10H2,1-2H3,(H,19,20)