4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]butanoic acid Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]butanoic acid CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]butanoic acid IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]butanoic acid Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]butyric acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CN(CCCC(=O)O)C1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C12H14N2O4S/c1-14(8-4-7-11(15)16)12-9-5-2-3-6-10(9)19(17,18)13-12/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)