2-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylic acid CAS Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxyphenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCOC2=C(C=CC(=C2)OC)C3=NC(=CS3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCOC2=C(C=CC(=C2)OC)C3=NC(=CS3)C(=O)O)C

InChI

InChI=1S/C21H21NO5S/c1-13-4-5-16(10-14(13)2)26-8-9-27-19-11-15(25-3)6-7-17(19)20-22-18(12-28-20)21(23)24/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)