[6-(phenylmethyl)pyridin-2-yl]methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [6-(phenylmethyl)pyridin-2-yl]methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (6-benzyl-2-pyridyl)methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid [6-(phenylmethyl)-2-pyridinyl]methyl ester IUPAC Name: (6-benzylpyridin-2-yl)methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid (6-benzyl-2-pyridyl)methyl ester Formula: C26H24ClNO2S MolecularWeight: 449.99226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClNO2S/c1-17(2)24(25-23-12-11-20(27)14-19(23)16-31-25)26(29)30-15-22-10-6-9-21(28-22)13-18-7-4-3-5-8-18/h3-12,14,16-17,24H,13,15H2,1-2H3