(1-oxidanylidene-1-thiophen-2-yl-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-oxidanylidene-1-thiophen-2-yl-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-oxo-2-(2-thienyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-oxo-1-thiophen-2-ylpropan-2-yl) ester IUPAC Name: (1-oxo-1-thiophen-2-ylpropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1-methyl-2-(2-thienyl)ethyl] ester Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=CS2

InChI

InChI=1S/C14H14O4S2/c1-10-5-7-12(8-6-10)20(16,17)18-11(2)14(15)13-4-3-9-19-13/h3-9,11H,1-2H3