2-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl-methyl-amino]ethanol; (E)-but-2-enedioic acid

Systemtic Name: 2-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl-methyl-amino]ethanol; (E)-but-2-enedioic acid Openeye Name: 2-[3-[2-(benzothiophen-5-yl)ethoxy]propyl-methyl-amino]ethanol; fumaric acid CAS Name: 2-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl-methylamino]ethanol; (E)-2-butenedioic acid IUPAC Name: 2-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl-methylamino]ethanol; (E)-but-2-enedioic acid Traditional Name: 2-[3-[2-(benzothiophen-5-yl)ethoxy]propyl-methyl-amino]ethanol; fumaric acid Formula: C36H50N2O8S2 MolecularWeight: 702.9208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOCCC1=CC2=C(C=C1)SC=C2)CCO.CN(CCCOCCC1=CC2=C(C=C1)SC=C2)CCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCCOCCC1=CC2=C(C=C1)SC=C2)CCO.CN(CCCOCCC1=CC2=C(C=C1)SC=C2)CCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C16H23NO2S.C4H4O4/c2*1-17(8-9-18)7-2-10-19-11-5-14-3-4-16-15(13-14)6-12-20-16;5-3(6)1-2-4(7)8/h2*3-4,6,12-13,18H,2,5,7-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+