2-(3-ethoxy-4-phenethyloxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(3-ethoxy-4-phenethyloxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-ethoxy-4-phenethyloxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(3-ethoxy-4-phenethyloxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-ethoxy-4-phenethyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-ethoxy-4-phenethyloxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)O)C)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)O)C)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-3-25-18-13-16(20-22-14(2)19(27-20)21(23)24)9-10-17(18)26-12-11-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)