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

Systemtic Name: 2-[3-cyano-4-(3-oxidanylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-cyano-4-(3-hydroxypropoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-cyano-4-(3-hydroxypropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-cyano-4-(3-hydroxypropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-cyano-4-(3-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)OCCCO)C#N)C(=O)O

Isomeric SMILES

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

InChI

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