3-(4-tert-butylphenyl)-4-cyano-5-ethyl-thiophene-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyano-5-ethyl-thiophene-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-4-cyano-5-ethyl-thiophene-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-4-cyano-5-ethyl-2-thiophenecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-4-cyano-5-ethylthiophene-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-4-cyano-5-ethyl-2-thenoic acid Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)C(C)(C)C)C#N

Isomeric SMILES

CCC1=C(C(=C(S1)C(=O)O)C2=CC=C(C=C2)C(C)(C)C)C#N

InChI

InChI=1S/C18H19NO2S/c1-5-14-13(10-19)15(16(22-14)17(20)21)11-6-8-12(9-7-11)18(2,3)4/h6-9H,5H2,1-4H3,(H,20,21)