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

Systemtic Name: 6-azanylidene-8-(4-methoxyphenyl)-1-methyl-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 6-imino-8-(4-methoxyphenyl)-1-methyl-3-(2-thienyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-8-(4-methoxyphenyl)-1-methyl-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-8-(4-methoxyphenyl)-1-methyl-3-thiophen-2-yl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 6-imino-8-(4-methoxyphenyl)-1-methyl-3-(2-thienyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H16N4O3S MolecularWeight: 404.44174

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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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3S/c1-19-16(13-5-7-14(26-2)8-6-13)21(12-24,18(25)28-19)20(10-22,11-23)17(27-19)15-4-3-9-29-15/h3-9,16-17,25H,1-2H3