3-(4-tert-butylphenyl)-4-cyano-thiophene-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyano-thiophene-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-4-cyano-thiophene-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-4-cyano-2-thiophenecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-4-cyanothiophene-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-4-cyano-2-thenoic acid Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(SC=C2C#N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(SC=C2C#N)C(=O)O

InChI

InChI=1S/C16H15NO2S/c1-16(2,3)12-6-4-10(5-7-12)13-11(8-17)9-20-14(13)15(18)19/h4-7,9H,1-3H3,(H,18,19)