3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethoxy]benzonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N2O2S/c1-15-11-20(16(2)23(15)9-8-19-7-4-10-26-19)21(24)14-25-18-6-3-5-17(12-18)13-22/h3-7,10-12H,8-9,14H2,1-2H3