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

Systemtic Name: 7-azanylidene-3-(4-bromanylthiophen-2-yl)-8-ethyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(4-bromo-2-thienyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(4-bromo-2-thiophenyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(4-bromothiophen-2-yl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(4-bromo-2-thienyl)-8-ethyl-7-imino-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C21H15BrN4O2S MolecularWeight: 467.3384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC(=CS3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC(=CS3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H15BrN4O2S/c1-2-16-20(12-25)18(26)28-21(16,13-6-4-3-5-7-13)27-17(19(20,10-23)11-24)15-8-14(22)9-29-15/h3-9,16-17,26H,2H2,1H3