2-[4-(1,3-dioxolan-2-ylmethoxy)-2-ethyl-1-benzothiophen-3-yl]ethanoic acid

Systemtic Name: 2-[4-(1,3-dioxolan-2-ylmethoxy)-2-ethyl-1-benzothiophen-3-yl]ethanoic acid Openeye Name: 2-[4-(1,3-dioxolan-2-ylmethoxy)-2-ethyl-benzothiophen-3-yl]acetic acid CAS Name: 2-[4-(1,3-dioxolan-2-ylmethoxy)-2-ethyl-1-benzothiophen-3-yl]acetic acid IUPAC Name: 2-[4-(1,3-dioxolan-2-ylmethoxy)-2-ethyl-1-benzothiophen-3-yl]acetic acid Traditional Name: 2-[4-(1,3-dioxolan-2-ylmethoxy)-2-ethyl-benzothiophen-3-yl]acetic acid Formula: C16H18O5S MolecularWeight: 322.37612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2S1)OCC3OCCO3)CC(=O)O

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2S1)OCC3OCCO3)CC(=O)O

InChI

InChI=1S/C16H18O5S/c1-2-12-10(8-14(17)18)16-11(4-3-5-13(16)22-12)21-9-15-19-6-7-20-15/h3-5,15H,2,6-9H2,1H3,(H,17,18)