(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-methylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-methylsulfonylbenzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H16O5S2 MolecularWeight: 352.42524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C16H16O5S2/c1-23(19,20)13-8-6-12(7-9-13)16(18)21-10-2-4-14(17)15-5-3-11-22-15/h3,5-9,11H,2,4,10H2,1H3