2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-cyano-4-neopentyloxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)(C)C)C#N)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)(C)C)C#N)C(=O)O

InChI

InChI=1S/C17H18N2O3S/c1-10-14(16(20)21)23-15(19-10)11-5-6-13(12(7-11)8-18)22-9-17(2,3)4/h5-7H,9H2,1-4H3,(H,20,21)