4-ethyl-2-(3-methoxy-2-phenethyloxy-phenyl)-1,3-thiazole-5-carboxylate

Systemtic Name: 4-ethyl-2-(3-methoxy-2-phenethyloxy-phenyl)-1,3-thiazole-5-carboxylate Openeye Name: 4-ethyl-2-(3-methoxy-2-phenethyloxy-phenyl)thiazole-5-carboxylate CAS Name: 4-ethyl-2-(3-methoxy-2-phenethyloxyphenyl)-5-thiazolecarboxylate IUPAC Name: 4-ethyl-2-(3-methoxy-2-phenethyloxyphenyl)-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-(3-methoxy-2-phenethyloxy-phenyl)thiazole-5-carboxylate Formula: C21H20NO4S- MolecularWeight: 382.4528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCCC3=CC=CC=C3)C(=O)[O-]

InChI

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