5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[4-(1-cyano-1-methyl-ethyl)phenyl]thiophene-2-carboxylic acid CAS Name: 5-[4-(2-cyanopropan-2-yl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-2-carboxylic acid Traditional Name: 5-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-thenoic acid Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)C2=CC=C(S2)C(=O)O

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)C2=CC=C(S2)C(=O)O

InChI

InChI=1S/C15H13NO2S/c1-15(2,9-16)11-5-3-10(4-6-11)12-7-8-13(19-12)14(17)18/h3-8H,1-2H3,(H,17,18)