6-azanylidene-3-(4-bromanylthiophen-2-yl)-8-ethyl-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-3-(4-bromanylthiophen-2-yl)-8-ethyl-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-bromo-2-thienyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-bromo-2-thiophenyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-bromothiophen-2-yl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-bromo-2-thienyl)-8-ethyl-6-imino-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(C(C(=N)O1)(C(C(O2)C3=CC(=CS3)Br)(C#N)C#N)C#N)CC

Isomeric SMILES

CCCC12C(C(C(=N)O1)(C(C(O2)C3=CC(=CS3)Br)(C#N)C#N)C#N)CC

InChI

InChI=1S/C18H17BrN4O2S/c1-3-5-18-13(4-2)17(10-22,15(23)25-18)16(8-20,9-21)14(24-18)12-6-11(19)7-26-12/h6-7,13-14,23H,3-5H2,1-2H3