(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-methylbenzenesulfonate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C13H12O4S2 MolecularWeight: 296.36198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O4S2/c1-10-4-6-11(7-5-10)19(15,16)17-9-12(14)13-3-2-8-18-13/h2-8H,9H2,1H3