[cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-(4-fluoro-3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(4-fluoro-3-phenoxyphenyl)methyl] 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] ester Formula: C27H21ClFNO3S MolecularWeight: 493.976943

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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=CC(=C(C=C3)F)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OC(C#N)C3=CC(=C(C=C3)F)OC4=CC=CC=C4

InChI

InChI=1S/C27H21ClFNO3S/c1-16(2)25(26-21-10-9-19(28)12-18(21)15-34-26)27(31)33-24(14-30)17-8-11-22(29)23(13-17)32-20-6-4-3-5-7-20/h3-13,15-16,24-25H,1-2H3