2-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C22H22NO4S- MolecularWeight: 396.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC=CC=C2OCCOC3=C(C=CC=C3C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC=CC=C2OCCOC3=C(C=CC=C3C)C)C(=O)[O-]

InChI

InChI=1S/C22H23NO4S/c1-4-17-20(22(24)25)28-21(23-17)16-10-5-6-11-18(16)26-12-13-27-19-14(2)8-7-9-15(19)3/h5-11H,4,12-13H2,1-3H3,(H,24,25)/p-1