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

Systemtic Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-ethoxy-4-(3-phenylpropoxy)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C22H22NO4S- MolecularWeight: 396.47938

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)OCCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCCCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-3-26-19-14-17(21-23-15(2)20(28-21)22(24)25)11-12-18(19)27-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3,(H,24,25)/p-1