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

Systemtic Name: [cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-(2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] 2-(2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-(4-fluoro-3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(4-fluoro-3-phenoxyphenyl)methyl] 2-(2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-isobenzothiophen-1-yl-3-methyl-butyric acid [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] ester Formula: C27H22FNO3S MolecularWeight: 459.531883

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H22FNO3S/c1-17(2)25(26-21-11-7-6-8-19(21)16-33-26)27(30)32-24(15-29)18-12-13-22(28)23(14-18)31-20-9-4-3-5-10-20/h3-14,16-17,24-25H,1-2H3