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

Systemtic Name: 6-azanylidene-8-ethyl-3-(3-methylthiophen-2-yl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-ethyl-6-imino-3-(3-methyl-2-thienyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 8-ethyl-6-imino-3-(3-methyl-2-thiophenyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-ethyl-6-imino-3-(3-methylthiophen-2-yl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-ethyl-6-imino-3-(3-methyl-2-thienyl)-1-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c1-4-7-19-13(5-2)18(11-22,16(23)25-19)17(9-20,10-21)15(24-19)14-12(3)6-8-26-14/h6,8,13,15,23H,4-5,7H2,1-3H3