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

Systemtic Name: (3-phenoxyphenyl)methyl 2-(1-benzothiophen-5-yl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(benzothiophen-5-yl)-3-methyl-butanoate CAS Name: 2-(1-benzothiophen-5-yl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(1-benzothiophen-5-yl)-3-methylbutanoate Traditional Name: 2-(benzothiophen-5-yl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C26H24O3S MolecularWeight: 416.53196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)SC=C2)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)SC=C2)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H24O3S/c1-18(2)25(21-11-12-24-20(16-21)13-14-30-24)26(27)28-17-19-7-6-10-23(15-19)29-22-8-4-3-5-9-22/h3-16,18,25H,17H2,1-2H3