(1-butylsulfonyl-3-propan-2-yloxy-propan-2-yl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfonyl-3-propan-2-yloxy-propan-2-yl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-isopropoxy-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-butylsulfonyl-3-propan-2-yloxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-propan-2-yloxypropan-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-(butylsulfonylmethyl)-2-isopropoxy-ethyl] ester Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC(C)C)OC(=O)CSC1=C(C(=CC(=N1)C)C)C#N

Isomeric SMILES

CCCCS(=O)(=O)CC(COC(C)C)OC(=O)CSC1=C(C(=CC(=N1)C)C)C#N

InChI

InChI=1S/C20H30N2O5S2/c1-6-7-8-29(24,25)13-17(11-26-14(2)3)27-19(23)12-28-20-18(10-21)15(4)9-16(5)22-20/h9,14,17H,6-8,11-13H2,1-5H3