[3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: [3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid [3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]methyl ester IUPAC Name: [3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid [3-(4-fluorobenzyl)-1H-pyrrol-2-yl]methyl ester Formula: C25H23ClFNO2S MolecularWeight: 455.972023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClFNO2S/c1-15(2)23(24-21-8-5-19(26)12-18(21)14-31-24)25(29)30-13-22-17(9-10-28-22)11-16-3-6-20(27)7-4-16/h3-10,12,14-15,23,28H,11,13H2,1-2H3