(E)-4-(5-pyridin-2-ylthiophen-2-yl)but-3-enoic acid

Systemtic Name: (E)-4-(5-pyridin-2-ylthiophen-2-yl)but-3-enoic acid Openeye Name: (E)-4-[5-(2-pyridyl)-2-thienyl]but-3-enoic acid CAS Name: (E)-4-[5-(2-pyridinyl)-2-thiophenyl]-3-butenoic acid IUPAC Name: (E)-4-(5-pyridin-2-ylthiophen-2-yl)but-3-enoic acid Traditional Name: (E)-4-[5-(2-pyridyl)-2-thienyl]but-3-enoic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=C(S2)C=CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=C(S2)/C=C/CC(=O)O

InChI

InChI=1S/C13H11NO2S/c15-13(16)6-3-4-10-7-8-12(17-10)11-5-1-2-9-14-11/h1-5,7-9H,6H2,(H,15,16)/b4-3+