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

Systemtic Name: 1,3-bis(butylsulfonyl)propan-2-yl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid 1,3-bis(butylsulfonyl)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfonyl)propan-2-yl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] ester Formula: C21H32N2O6S3 MolecularWeight: 504.68358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6S3/c1-5-7-9-31(25,26)14-18(15-32(27,28)10-8-6-2)29-20(24)13-30-21-19(12-22)16(3)11-17(4)23-21/h11,18H,5-10,13-15H2,1-4H3