5-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethynyl]-4-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethynyl]-4-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethynyl]-4-methyl-thiophene-2-carboxylic acid CAS Name: 5-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethynyl]-4-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethynyl]-4-methylthiophene-2-carboxylic acid Traditional Name: 5-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethynyl]-4-methyl-2-thenoic acid Formula: C13H14O4S MolecularWeight: 266.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)O)C#CC2COC(O2)(C)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)O)C#CC2COC(O2)(C)C

InChI

InChI=1S/C13H14O4S/c1-8-6-11(12(14)15)18-10(8)5-4-9-7-16-13(2,3)17-9/h6,9H,7H2,1-3H3,(H,14,15)