(E)-but-2-enedioic acid; 2-(6,7-dihydro-1-benzothiophen-5-yl)pyridin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(6,7-dihydro-1-benzothiophen-5-yl)pyridin-4-amine Openeye Name: 2-(6,7-dihydrobenzothiophen-5-yl)pyridin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(6,7-dihydro-1-benzothiophen-5-yl)-4-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; 2-(6,7-dihydro-1-benzothiophen-5-yl)pyridin-4-amine Traditional Name: [2-(6,7-dihydrobenzothiophen-5-yl)-4-pyridyl]amine; fumaric acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CS2)C=C1C3=NC=CC(=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(C=CS2)C=C1C3=NC=CC(=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H12N2S.C4H4O4/c14-11-3-5-15-12(8-11)9-1-2-13-10(7-9)4-6-16-13;5-3(6)1-2-4(7)8/h3-8H,1-2H2,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+