3-(4-tert-butylphenyl)-4-cyano-5-pyrrolidin-1-yl-thiophene-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyano-5-pyrrolidin-1-yl-thiophene-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-4-cyano-5-pyrrolidin-1-yl-thiophene-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-4-cyano-5-(1-pyrrolidinyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-4-cyano-5-pyrrolidin-1-ylthiophene-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-4-cyano-5-pyrrolidino-2-thenoic acid Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)N3CCCC3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)N3CCCC3)C(=O)O

InChI

InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)