[cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[5-(trifluoromethyl)-2-benzothiophen-1-yl]butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[5-(trifluoromethyl)-2-benzothiophen-1-yl]butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[5-(trifluoromethyl)-2-benzothiophen-1-yl]butanoate CAS Name: 3-methyl-2-[5-(trifluoromethyl)-2-benzothiophen-1-yl]butanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-methyl-2-[5-(trifluoromethyl)-2-benzothiophen-1-yl]butanoate Traditional Name: 3-methyl-2-[5-(trifluoromethyl)isobenzothiophen-1-yl]butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C28H22F3NO3S MolecularWeight: 509.53939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22F3NO3S/c1-17(2)25(26-23-12-11-20(28(29,30)31)13-19(23)16-36-26)27(33)35-24(15-32)18-7-6-10-22(14-18)34-21-8-4-3-5-9-21/h3-14,16-17,24-25H,1-2H3