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

Systemtic Name: 2-[3-cyano-4-(2-oxidanylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-cyano-4-(2-hydroxypropoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-cyano-4-(2-hydroxypropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-cyano-4-(2-hydroxypropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-cyano-4-(2-hydroxypropoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4S/c1-8(18)7-21-12-4-3-10(5-11(12)6-16)14-17-9(2)13(22-14)15(19)20/h3-5,8,18H,7H2,1-2H3,(H,19,20)