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

Systemtic Name: (1-butylsulfonyl-3-phenylmethoxy-propan-2-yl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(benzyloxymethyl)-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-phenylmethoxypropan-2-yl) ester IUPAC Name: (1-butylsulfonyl-3-phenylmethoxypropan-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-(benzoxymethyl)-2-butylsulfonyl-ethyl] ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCCCS(=O)(=O)CC(COCC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C24H30N2O5S2/c1-4-5-11-33(28,29)17-21(15-30-14-20-9-7-6-8-10-20)31-23(27)16-32-24-22(13-25)18(2)12-19(3)26-24/h6-10,12,21H,4-5,11,14-17H2,1-3H3