5-(4,5-dimethylthiophen-2-yl)-3,3-dimethyl-pentanoic acid

Systemtic Name: 5-(4,5-dimethylthiophen-2-yl)-3,3-dimethyl-pentanoic acid Openeye Name: 5-(4,5-dimethyl-2-thienyl)-3,3-dimethyl-pentanoic acid CAS Name: 5-(4,5-dimethyl-2-thiophenyl)-3,3-dimethylpentanoic acid IUPAC Name: 5-(4,5-dimethylthiophen-2-yl)-3,3-dimethylpentanoic acid Traditional Name: 5-(4,5-dimethyl-2-thienyl)-3,3-dimethyl-valeric acid Formula: C13H20O2S MolecularWeight: 240.3617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)CCC(C)(C)CC(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1)CCC(C)(C)CC(=O)O)C

InChI

InChI=1S/C13H20O2S/c1-9-7-11(16-10(9)2)5-6-13(3,4)8-12(14)15/h7H,5-6,8H2,1-4H3,(H,14,15)