(3-ethanoyl-1,6-dimethyl-2-oxidanylidene-pyridin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-ethanoyl-1,6-dimethyl-2-oxidanylidene-pyridin-4-yl) 4-methylbenzenesulfonate Openeye Name: (3-acetyl-1,6-dimethyl-2-oxo-4-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-acetyl-1,6-dimethyl-2-oxo-4-pyridinyl) ester IUPAC Name: (3-acetyl-1,6-dimethyl-2-oxopyridin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-acetyl-2-keto-1,6-dimethyl-4-pyridyl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2)C)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2)C)C)C(=O)C

InChI

InChI=1S/C16H17NO5S/c1-10-5-7-13(8-6-10)23(20,21)22-14-9-11(2)17(4)16(19)15(14)12(3)18/h5-9H,1-4H3