[6-(phenylmethyl)pyridin-2-yl]methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [6-(phenylmethyl)pyridin-2-yl]methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (6-benzyl-2-pyridyl)methyl 2-(2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(2-benzothiophen-1-yl)-3-methylbutanoic acid [6-(phenylmethyl)-2-pyridinyl]methyl ester IUPAC Name: (6-benzylpyridin-2-yl)methyl 2-(2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-isobenzothiophen-1-yl-3-methyl-butyric acid (6-benzyl-2-pyridyl)methyl ester Formula: C26H25NO2S MolecularWeight: 415.5472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC=CC2=CS1)C(=O)OCC3=CC=CC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC=CC2=CS1)C(=O)OCC3=CC=CC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C26H25NO2S/c1-18(2)24(25-23-14-7-6-11-20(23)17-30-25)26(28)29-16-22-13-8-12-21(27-22)15-19-9-4-3-5-10-19/h3-14,17-18,24H,15-16H2,1-2H3