5-(1-benzothiophen-3-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(1-benzothiophen-3-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(benzothiophen-3-yl)-5-oxo-pentanoic acid CAS Name: 5-(1-benzothiophen-3-yl)-5-oxopentanoic acid IUPAC Name: 5-(1-benzothiophen-3-yl)-5-oxopentanoic acid Traditional Name: 5-(benzothiophen-3-yl)-5-keto-valeric acid Formula: C13H12O3S MolecularWeight: 248.29758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)C(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)C(=O)CCCC(=O)O

InChI

InChI=1S/C13H12O3S/c14-11(5-3-7-13(15)16)10-8-17-12-6-2-1-4-9(10)12/h1-2,4,6,8H,3,5,7H2,(H,15,16)