(3-phenoxyphenyl)methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C26H23ClO3S MolecularWeight: 450.97702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H23ClO3S/c1-17(2)24(25-23-12-11-20(27)14-19(23)16-31-25)26(28)29-15-18-7-6-10-22(13-18)30-21-8-4-3-5-9-21/h3-14,16-17,24H,15H2,1-2H3