S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-tert-butylphenyl)-3-methyl-butanethioate

Systemtic Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-tert-butylphenyl)-3-methyl-butanethioate Openeye Name: S-[1-(6-phenoxy-2-pyridyl)ethyl] 2-(4-tert-butylphenyl)-3-methyl-butanethioate CAS Name: 2-(4-tert-butylphenyl)-3-methylbutanethioic acid S-[1-(6-phenoxy-2-pyridinyl)ethyl] ester IUPAC Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-tert-butylphenyl)-3-methylbutanethioate Traditional Name: 2-(4-tert-butylphenyl)-3-methyl-butanethioic acid S-[1-(6-phenoxy-2-pyridyl)ethyl] ester Formula: C28H33NO2S MolecularWeight: 447.63212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C(C)(C)C)C(=O)SC(C)C2=NC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)C(C)(C)C)C(=O)SC(C)C2=NC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C28H33NO2S/c1-19(2)26(21-15-17-22(18-16-21)28(4,5)6)27(30)32-20(3)24-13-10-14-25(29-24)31-23-11-8-7-9-12-23/h7-20,26H,1-6H3