2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoic acid

Systemtic Name: 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoic acid Openeye Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoic acid CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid IUPAC Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid Formula: C13H13ClO2S MolecularWeight: 268.75912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO2S/c1-7(2)11(13(15)16)12-10-4-3-9(14)5-8(10)6-17-12/h3-7,11H,1-2H3,(H,15,16)