[3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-(5-fluoranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl 2-(5-fluoranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(5-fluoro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-fluoro-2-benzothiophen-1-yl)-3-methylbutanoic acid [3-(phenylmethyl)-1H-pyrrol-2-yl]methyl ester IUPAC Name: (3-benzyl-1H-pyrrol-2-yl)methyl 2-(5-fluoro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-fluoroisobenzothiophen-1-yl)-3-methyl-butyric acid (3-benzyl-1H-pyrrol-2-yl)methyl ester Formula: C25H24FNO2S MolecularWeight: 421.526963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC(=CC2=CS1)F)C(=O)OCC3=C(C=CN3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)F)C(=O)OCC3=C(C=CN3)CC4=CC=CC=C4

InChI

InChI=1S/C25H24FNO2S/c1-16(2)23(24-21-9-8-20(26)13-19(21)15-30-24)25(28)29-14-22-18(10-11-27-22)12-17-6-4-3-5-7-17/h3-11,13,15-16,23,27H,12,14H2,1-2H3