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

Systemtic Name: 4-ethyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-ethyl-2-[2-(3-phenylpropoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-ethyl-2-[2-(3-phenylpropoxy)phenyl]-5-thiazolecarboxylate IUPAC Name: 4-ethyl-2-[2-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-[2-(3-phenylpropoxy)phenyl]thiazole-5-carboxylate Formula: C21H20NO3S- MolecularWeight: 366.4534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC=CC=C2OCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC=CC=C2OCCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H21NO3S/c1-2-17-19(21(23)24)26-20(22-17)16-12-6-7-13-18(16)25-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,23,24)/p-1