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

Systemtic Name: 2-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[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=C2)OCCOC3=C(C=CC=C3C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC(=CC=C2)OCCOC3=C(C=CC=C3C)C)C(=O)[O-]

InChI

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