2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C21H20NO4S- MolecularWeight: 382.4528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H21NO4S/c1-14-19(21(23)24)27-20(22-14)16-11-6-12-17(25-2)18(16)26-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12H,7,10,13H2,1-2H3,(H,23,24)/p-1