[cyano-[6-(2-fluoranylphenoxy)pyridin-2-yl]methyl] 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [cyano-[6-(2-fluoranylphenoxy)pyridin-2-yl]methyl] 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-[6-(2-fluorophenoxy)-2-pyridyl]methyl] 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-[6-(2-fluorophenoxy)-2-pyridinyl]methyl] ester IUPAC Name: [cyano-[6-(2-fluorophenoxy)pyridin-2-yl]methyl] 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid [cyano-[6-(2-fluorophenoxy)-2-pyridyl]methyl] ester Formula: C26H20ClFN2O3S MolecularWeight: 494.965003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OC(C#N)C3=NC(=CC=C3)OC4=CC=CC=C4F

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OC(C#N)C3=NC(=CC=C3)OC4=CC=CC=C4F

InChI

InChI=1S/C26H20ClFN2O3S/c1-15(2)24(25-18-11-10-17(27)12-16(18)14-34-25)26(31)33-22(13-29)20-7-5-9-23(30-20)32-21-8-4-3-6-19(21)28/h3-12,14-15,22,24H,1-2H3