1-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]hexyl 3-oxidanylidenebutanoate

Systemtic Name: 1-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]hexyl 3-oxidanylidenebutanoate Openeye Name: 1-(4-methylthiazol-2-yl)sulfonylhexyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 1-[(4-methyl-2-thiazolyl)sulfonyl]hexyl ester IUPAC Name: 1-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]hexyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 1-(4-methylthiazol-2-yl)sulfonylhexyl ester Formula: C14H21NO5S2 MolecularWeight: 347.45024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(OC(=O)CC(=O)C)S(=O)(=O)C1=NC(=CS1)C

Isomeric SMILES

CCCCCC(OC(=O)CC(=O)C)S(=O)(=O)C1=NC(=CS1)C

InChI

InChI=1S/C14H21NO5S2/c1-4-5-6-7-13(20-12(17)8-11(3)16)22(18,19)14-15-10(2)9-21-14/h9,13H,4-8H2,1-3H3