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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-10(2)6-7-22-14-5-4-12(8-13(14)9-18)16-19-11(3)15(23-16)17(20)21/h4-5,8,10H,6-7H2,1-3H3,(H,20,21)