2-(2-azanylethoxy)-1-(1-benzothiophen-5-yl)ethanol; (E)-but-2-enedioic acid

Systemtic Name: 2-(2-azanylethoxy)-1-(1-benzothiophen-5-yl)ethanol; (E)-but-2-enedioic acid Openeye Name: 2-(2-aminoethoxy)-1-(benzothiophen-5-yl)ethanol; fumaric acid CAS Name: 2-(2-aminoethoxy)-1-(1-benzothiophen-5-yl)ethanol; (E)-2-butenedioic acid IUPAC Name: 2-(2-aminoethoxy)-1-(1-benzothiophen-5-yl)ethanol; (E)-but-2-enedioic acid Traditional Name: 2-(2-aminoethoxy)-1-(benzothiophen-5-yl)ethanol; fumaric acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CS2)C=C1C(COCCN)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CS2)C=C1C(COCCN)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H15NO2S.C4H4O4/c13-4-5-15-8-11(14)9-1-2-12-10(7-9)3-6-16-12;5-3(6)1-2-4(7)8/h1-3,6-7,11,14H,4-5,8,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+