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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoic acid Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyric acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCC(C(=O)O)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C11H12N2O4S/c1-2-8(11(14)15)12-10-7-5-3-4-6-9(7)18(16,17)13-10/h3-6,8H,2H2,1H3,(H,12,13)(H,14,15)