2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]benzoic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]benzoic acid Openeye Name: 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]benzoic acid CAS Name: 2-[(1,1-dioxo-3-thiolanyl)-methylamino]benzoic acid IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-methylamino]benzoic acid Traditional Name: 2-[(1,1-diketothiolan-3-yl)-methyl-amino]benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-13(9-6-7-18(16,17)8-9)11-5-3-2-4-10(11)12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)