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

Systemtic Name: (1-butylsulfonyl-3-methoxy-propan-2-yl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-methoxy-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-methoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-methoxypropan-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-methoxy-ethyl] ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S2/c1-5-6-7-27(22,23)12-15(10-24-4)25-17(21)11-26-18-16(9-19)13(2)8-14(3)20-18/h8,15H,5-7,10-12H2,1-4H3