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

Systemtic Name: 2-cyano-4-methyl-4-[3-(2-methylpropoxy)phenyl]-5H-1,3-thiazole-5-carboxylic acid Openeye Name: 2-cyano-4-(3-isobutoxyphenyl)-4-methyl-5H-thiazole-5-carboxylic acid CAS Name: 2-cyano-4-methyl-4-[3-(2-methylpropoxy)phenyl]-5H-thiazole-5-carboxylic acid IUPAC Name: 2-cyano-4-methyl-4-[3-(2-methylpropoxy)phenyl]-5H-1,3-thiazole-5-carboxylic acid Traditional Name: 2-cyano-4-(3-isobutoxyphenyl)-4-methyl-2-thiazoline-5-carboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2(C(SC(=N2)C#N)C(=O)O)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2(C(SC(=N2)C#N)C(=O)O)C

InChI

InChI=1S/C16H18N2O3S/c1-10(2)9-21-12-6-4-5-11(7-12)16(3)14(15(19)20)22-13(8-17)18-16/h4-7,10,14H,9H2,1-3H3,(H,19,20)