(Z)-but-2-enedioate; 5-thiophen-2-yl-6,8-dioxa-3-azabicyclo[3.2.1]octane

Systemtic Name: (Z)-but-2-enedioate; 5-thiophen-2-yl-6,8-dioxa-3-azabicyclo[3.2.1]octane Openeye Name: (Z)-but-2-enedioate; 5-(2-thienyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane CAS Name: (Z)-2-butenedioate; 5-thiophen-2-yl-6,8-dioxa-3-azabicyclo[3.2.1]octane IUPAC Name: (Z)-but-2-enedioate; 5-thiophen-2-yl-6,8-dioxa-3-azabicyclo[3.2.1]octane Traditional Name: 5-(2-thienyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane maleate Formula: C13H13NO6S-2 MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1C2COC(O2)(CN1)C3=CC=CS3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C2COC(O2)(CN1)C3=CC=CS3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C9H11NO2S.C4H4O4/c1-2-8(13-3-1)9-6-10-4-7(12-9)5-11-9;5-3(6)1-2-4(7)8/h1-3,7,10H,4-6H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-