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

Systemtic Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(3,4-dimethylphenyl)-3-methyl-butanethioate Openeye Name: S-[1-(6-phenoxy-2-pyridyl)ethyl] 2-(3,4-dimethylphenyl)-3-methyl-butanethioate CAS Name: 2-(3,4-dimethylphenyl)-3-methylbutanethioic acid S-[1-(6-phenoxy-2-pyridinyl)ethyl] ester IUPAC Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 2-(3,4-dimethylphenyl)-3-methylbutanethioate Traditional Name: 2-(3,4-dimethylphenyl)-3-methyl-butanethioic acid S-[1-(6-phenoxy-2-pyridyl)ethyl] ester Formula: C26H29NO2S MolecularWeight: 419.57896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C(C)C)C(=O)SC(C)C2=NC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C(C)C)C(=O)SC(C)C2=NC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C26H29NO2S/c1-17(2)25(21-15-14-18(3)19(4)16-21)26(28)30-20(5)23-12-9-13-24(27-23)29-22-10-7-6-8-11-22/h6-17,20,25H,1-5H3