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

Systemtic Name: 6-azanylidene-1-methyl-8-(phenylmethyl)-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-6-imino-1-methyl-3-(2-thienyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-8-(phenylmethyl)-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-6-imino-1-methyl-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-6-imino-1-methyl-3-(2-thienyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(C(O2)C3=CC=CS3)(C#N)C#N)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)C3=CC=CS3)(C#N)C#N)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C21H16N4O2S/c1-19-16(10-14-6-3-2-4-7-14)21(13-24,18(25)27-19)20(11-22,12-23)17(26-19)15-8-5-9-28-15/h2-9,16-17,25H,10H2,1H3