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

Systemtic Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-methoxyphenyl)-3-methyl-butanethioate Openeye Name: S-[1-(6-phenoxy-2-pyridyl)ethyl] 2-(4-methoxyphenyl)-3-methyl-butanethioate CAS Name: 2-(4-methoxyphenyl)-3-methylbutanethioic acid S-[1-(6-phenoxy-2-pyridinyl)ethyl] ester IUPAC Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-methoxyphenyl)-3-methylbutanethioate Traditional Name: 2-(4-methoxyphenyl)-3-methyl-butanethioic acid S-[1-(6-phenoxy-2-pyridyl)ethyl] ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3S/c1-17(2)24(19-13-15-20(28-4)16-14-19)25(27)30-18(3)22-11-8-12-23(26-22)29-21-9-6-5-7-10-21/h5-18,24H,1-4H3