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

Systemtic Name: (1-butylsulfonyl-3-prop-2-enoxy-propan-2-yl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(allyloxymethyl)-2-butylsulfonyl-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-prop-2-enoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-prop-2-enoxypropan-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-(allyloxymethyl)-2-butylsulfonyl-ethyl] ester Formula: C20H28N2O5S2 MolecularWeight: 440.57672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S2/c1-5-7-9-29(24,25)14-17(12-26-8-6-2)27-19(23)13-28-20-18(11-21)15(3)10-16(4)22-20/h6,10,17H,2,5,7-9,12-14H2,1,3-4H3