2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoic acid

Systemtic Name: 2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoic acid Openeye Name: 2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoic acid CAS Name: 2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoic acid IUPAC Name: 2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoic acid Traditional Name: 4-mesyl-2-methyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC3C2C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC3C2C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H13NO5S/c1-6-7(13(15)16)3-4-10(20(2,17)18)11(6)12-8-5-9(8)19-14-12/h3-4,8-9H,5H2,1-2H3,(H,15,16)