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

Systemtic Name: 2-[3-cyano-4-(2-methyl-1-oxidanyl-propoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-cyano-4-(1-hydroxy-2-methyl-propoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-cyano-4-(1-hydroxy-2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-cyano-4-(1-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-cyano-4-(1-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)OC(C(C)C)O)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-8(2)16(21)22-12-5-4-10(6-11(12)7-17)14-18-9(3)13(23-14)15(19)20/h4-6,8,16,21H,1-3H3,(H,19,20)