[1-(4-tert-butylphenoxy)-3-butylsulfinyl-propan-2-yl] 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfinyl-propan-2-yl] 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfinyl-ethyl] 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid [1-(4-tert-butylphenoxy)-3-butylsulfinylpropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-butylsulfinylpropan-2-yl] 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfinyl-ethyl] ester Formula: C27H36N2O4S2 MolecularWeight: 516.71574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCCCS(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C27H36N2O4S2/c1-7-8-13-35(31)18-23(16-32-22-11-9-21(10-12-22)27(4,5)6)33-25(30)17-34-26-24(15-28)19(2)14-20(3)29-26/h9-12,14,23H,7-8,13,16-18H2,1-6H3