2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-4-bromanyl-benzoic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-4-bromanyl-benzoic acid Openeye Name: 4-bromo-2-[(1,1-dioxothiolan-3-yl)-methyl-amino]benzoic acid CAS Name: 4-bromo-2-[(1,1-dioxo-3-thiolanyl)-methylamino]benzoic acid IUPAC Name: 4-bromo-2-[(1,1-dioxothiolan-3-yl)-methylamino]benzoic acid Traditional Name: 4-bromo-2-[(1,1-diketothiolan-3-yl)-methyl-amino]benzoic acid Formula: C12H14BrNO4S MolecularWeight: 348.21286

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C(C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO4S/c1-14(9-4-5-19(17,18)7-9)11-6-8(13)2-3-10(11)12(15)16/h2-3,6,9H,4-5,7H2,1H3,(H,15,16)