4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-thiophen-2-yl-butanoic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-thiophen-2-yl-butanoic acid Openeye Name: 4-tert-butoxy-4-oxo-2-(2-thienyl)butanoic acid CAS Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-thiophen-2-ylbutanoic acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-thiophen-2-ylbutanoic acid Traditional Name: 4-tert-butoxy-4-keto-2-(2-thienyl)butyric acid Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC=CS1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CC=CS1)C(=O)O

InChI

InChI=1S/C12H16O4S/c1-12(2,3)16-10(13)7-8(11(14)15)9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,14,15)