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

Systemtic Name: 2-[3-cyano-4-(2-methyl-3-oxidanyl-propoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-cyano-4-(3-hydroxy-2-methyl-propoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-cyano-4-(3-hydroxy-2-methyl-propoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-9(7-19)8-22-13-4-3-11(5-12(13)6-17)15-18-10(2)14(23-15)16(20)21/h3-5,9,19H,7-8H2,1-2H3,(H,20,21)