(6-phenoxypyridin-2-yl)methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (6-phenoxy-2-pyridyl)methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-(2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-isobenzothiophen-1-yl-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO3S/c1-17(2)23(24-21-13-7-6-9-18(21)16-30-24)25(27)28-15-19-10-8-14-22(26-19)29-20-11-4-3-5-12-20/h3-14,16-17,23H,15H2,1-2H3