1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol; (E)-but-2-enedioic acid

Systemtic Name: 1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol; (E)-but-2-enedioic acid Openeye Name: 1-[3-[2-(benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol; fumaric acid CAS Name: 1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-azetidinol; (E)-2-butenedioic acid IUPAC Name: 1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol; (E)-but-2-enedioic acid Traditional Name: 1-[3-[2-(benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol; fumaric acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(CN1CCCOCCC2=CC3=C(C=C2)SC=C3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21NO2S.C4H4O4/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16;5-3(6)1-2-4(7)8/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+