(E)-3-[5-(pyridin-3-ylmethyl)thiophen-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(pyridin-3-ylmethyl)thiophen-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(3-pyridylmethyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-[5-(3-pyridinylmethyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(pyridin-3-ylmethyl)thiophen-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(3-pyridylmethyl)-2-thienyl]acrylic acid Formula: C13H11NO2S MolecularWeight: 245.29694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC=C(S2)C=CC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC=C(S2)/C=C/C(=O)O

InChI

InChI=1S/C13H11NO2S/c15-13(16)6-5-11-3-4-12(17-11)8-10-2-1-7-14-9-10/h1-7,9H,8H2,(H,15,16)/b6-5+