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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=C(C=C(C=C2)OC)OCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=C(C=C(C=C2)OC)OCCCC3=CC=CC=C3)C(=O)[O-]

InChI

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