2-[3-oxidanylidene-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile

Systemtic Name: 2-[3-oxidanylidene-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile Openeye Name: 2-[3-oxo-3-(2-thienyl)-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile CAS Name: 2-[3-oxo-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile IUPAC Name: 2-[3-oxo-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)propyl]propanedinitrile Traditional Name: 2-[3-keto-3-(2-thienyl)-1-(3,4,5-trimethoxyphenyl)propyl]malononitrile Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CC(=O)C2=CC=CS2)C(C#N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CC(=O)C2=CC=CS2)C(C#N)C#N

InChI

InChI=1S/C19H18N2O4S/c1-23-16-7-12(8-17(24-2)19(16)25-3)14(13(10-20)11-21)9-15(22)18-5-4-6-26-18/h4-8,13-14H,9H2,1-3H3