(E)-but-2-enedioic acid; N-(6-fluoranyl-1-benzothiophen-3-yl)pyridin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-(6-fluoranyl-1-benzothiophen-3-yl)pyridin-4-amine Openeye Name: N-(6-fluorobenzothiophen-3-yl)pyridin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(6-fluoro-1-benzothiophen-3-yl)-4-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine Traditional Name: (6-fluorobenzothiophen-3-yl)-(4-pyridyl)amine; fumaric acid Formula: C17H13FN2O4S MolecularWeight: 360.359523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)SC=C2NC3=CC=NC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)SC=C2NC3=CC=NC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H9FN2S.C4H4O4/c14-9-1-2-11-12(8-17-13(11)7-9)16-10-3-5-15-6-4-10;5-3(6)1-2-4(7)8/h1-8H,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+