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

Systemtic Name: 6-azanylidene-8-ethyl-1-propyl-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-ethyl-6-imino-1-propyl-3-(2-thienyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 8-ethyl-6-imino-1-propyl-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-ethyl-6-imino-1-propyl-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-ethyl-6-imino-1-propyl-3-(2-thienyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-3-7-18-13(4-2)17(11-21,15(22)24-18)16(9-19,10-20)14(23-18)12-6-5-8-25-12/h5-6,8,13-14,22H,3-4,7H2,1-2H3