4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-fluoranyl-benzoic acid Openeye Name: 4-[(1,1-dioxothiolan-3-yl)-methyl-amino]-3-fluoro-benzoic acid CAS Name: 4-[(1,1-dioxo-3-thiolanyl)-methylamino]-3-fluorobenzoic acid IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)-methylamino]-3-fluorobenzoic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)-methyl-amino]-3-fluoro-benzoic acid Formula: C12H14FNO4S MolecularWeight: 287.307263

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)C(=O)O)F

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)C(=O)O)F

InChI

InChI=1S/C12H14FNO4S/c1-14(9-4-5-19(17,18)7-9)11-3-2-8(12(15)16)6-10(11)13/h2-3,6,9H,4-5,7H2,1H3,(H,15,16)