[1-(4-tert-butylphenoxy)-3-butylsulfanyl-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfanyl-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfanyl-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-(4-tert-butylphenoxy)-3-(butylthio)propan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-butylsulfanylpropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [1-[(4-tert-butylphenoxy)methyl]-2-(butylthio)ethyl] ester Formula: C25H36N2O3S2 MolecularWeight: 476.69494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCSCC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C25H36N2O3S2/c1-7-8-13-31-16-22(15-29-21-11-9-20(10-12-21)25(4,5)6)30-23(28)17-32-24-26-18(2)14-19(3)27-24/h9-12,14,22H,7-8,13,15-17H2,1-6H3