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

Systemtic Name: 6-azanylidene-3-(4-bromanylthiophen-2-yl)-8-ethyl-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-bromo-2-thienyl)-8-ethyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-bromo-2-thiophenyl)-8-ethyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-bromothiophen-2-yl)-8-ethyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-bromo-2-thienyl)-8-ethyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C16H13BrN4O2S MolecularWeight: 405.26902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CS3)Br)C

Isomeric SMILES

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CS3)Br)C

InChI

InChI=1S/C16H13BrN4O2S/c1-3-11-14(2)22-12(10-4-9(17)5-24-10)15(6-18,7-19)16(11,8-20)13(21)23-14/h4-5,11-12,21H,3H2,1-2H3