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

Systemtic Name: 4-methyl-2-[4-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[4-(3-phenylpropoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[4-(3-phenylpropoxy)phenyl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[4-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[4-(3-phenylpropoxy)phenyl]thiazole-5-carboxylate Formula: C20H18NO3S- MolecularWeight: 352.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OCCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H19NO3S/c1-14-18(20(22)23)25-19(21-14)16-9-11-17(12-10-16)24-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,22,23)/p-1