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

Systemtic Name: 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-methyl-amino]ethanol; (E)-but-2-enedioic acid Openeye Name: 2-[2-[2-(benzothiophen-5-yl)ethoxy]ethyl-methyl-amino]ethanol; fumaric acid CAS Name: 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-methylamino]ethanol; (E)-2-butenedioic acid IUPAC Name: 2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-methylamino]ethanol; (E)-but-2-enedioic acid Traditional Name: 2-[2-[2-(benzothiophen-5-yl)ethoxy]ethyl-methyl-amino]ethanol; fumaric acid Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)CCOCCC1=CC2=C(C=C1)SC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCO)CCOCCC1=CC2=C(C=C1)SC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21NO2S.C4H4O4/c1-16(6-8-17)7-10-18-9-4-13-2-3-15-14(12-13)5-11-19-15;5-3(6)1-2-4(7)8/h2-3,5,11-12,17H,4,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+