methyl 2-(5-chloranyl-1-benzothiophen-2-yl)-2-[3-cyano-6-(4-fluoranylphenoxy)pyridin-2-yl]-3-methyl-butanoate

Systemtic Name: methyl 2-(5-chloranyl-1-benzothiophen-2-yl)-2-[3-cyano-6-(4-fluoranylphenoxy)pyridin-2-yl]-3-methyl-butanoate Openeye Name: methyl 2-(5-chlorobenzothiophen-2-yl)-2-[3-cyano-6-(4-fluorophenoxy)-2-pyridyl]-3-methyl-butanoate CAS Name: 2-(5-chloro-1-benzothiophen-2-yl)-2-[3-cyano-6-(4-fluorophenoxy)-2-pyridinyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(5-chloro-1-benzothiophen-2-yl)-2-[3-cyano-6-(4-fluorophenoxy)pyridin-2-yl]-3-methylbutanoate Traditional Name: 2-(5-chlorobenzothiophen-2-yl)-2-[3-cyano-6-(4-fluorophenoxy)-2-pyridyl]-3-methyl-butyric acid methyl ester Formula: C26H20ClFN2O3S MolecularWeight: 494.965003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(S1)C=CC(=C2)Cl)(C3=C(C=CC(=N3)OC4=CC=C(C=C4)F)C#N)C(=O)OC

Isomeric SMILES

CC(C)C(C1=CC2=C(S1)C=CC(=C2)Cl)(C3=C(C=CC(=N3)OC4=CC=C(C=C4)F)C#N)C(=O)OC

InChI

InChI=1S/C26H20ClFN2O3S/c1-15(2)26(25(31)32-3,22-13-17-12-18(27)5-10-21(17)34-22)24-16(14-29)4-11-23(30-24)33-20-8-6-19(28)7-9-20/h4-13,15H,1-3H3