3-[(2E)-2-(methylsulfonylmethylidene)azetidin-1-yl]benzoic acid

Systemtic Name: 3-[(2E)-2-(methylsulfonylmethylidene)azetidin-1-yl]benzoic acid Openeye Name: 3-[(2E)-2-(methylsulfonylmethylene)azetidin-1-yl]benzoic acid CAS Name: 3-[(2E)-2-(methylsulfonylmethylidene)-1-azetidinyl]benzoic acid IUPAC Name: 3-[(2E)-2-(methylsulfonylmethylidene)azetidin-1-yl]benzoic acid Traditional Name: 3-[(2E)-2-(mesylmethylene)azetidin-1-yl]benzoic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C=C1CCN1C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)/C=C/1\CCN1C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H13NO4S/c1-18(16,17)8-11-5-6-13(11)10-4-2-3-9(7-10)12(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)/b11-8+