[cyano-[3-(4-fluorophenyl)carbonylphenyl]methyl] 2-(2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [cyano-[3-(4-fluorophenyl)carbonylphenyl]methyl] 2-(2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [cyano-[3-(4-fluorobenzoyl)phenyl]methyl] 2-(2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid [cyano-[3-[(4-fluorophenyl)-oxomethyl]phenyl]methyl] ester IUPAC Name: [cyano-[3-(4-fluorobenzoyl)phenyl]methyl] 2-(2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-isobenzothiophen-1-yl-3-methyl-butyric acid [cyano-[3-(4-fluorobenzoyl)phenyl]methyl] ester Formula: C28H22FNO3S MolecularWeight: 471.542583

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22FNO3S/c1-17(2)25(27-23-9-4-3-6-21(23)16-34-27)28(32)33-24(15-30)19-7-5-8-20(14-19)26(31)18-10-12-22(29)13-11-18/h3-14,16-17,24-25H,1-2H3