2-(2-benzothiophen-1-yl)-3-methyl-butanoic acid

Systemtic Name: 2-(2-benzothiophen-1-yl)-3-methyl-butanoic acid Openeye Name: 2-(2-benzothiophen-1-yl)-3-methyl-butanoic acid CAS Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid IUPAC Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid Traditional Name: 2-isobenzothiophen-1-yl-3-methyl-butyric acid Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC=CC2=CS1)C(=O)O

Isomeric SMILES

CC(C)C(C1=C2C=CC=CC2=CS1)C(=O)O

InChI

InChI=1S/C13H14O2S/c1-8(2)11(13(14)15)12-10-6-4-3-5-9(10)7-16-12/h3-8,11H,1-2H3,(H,14,15)