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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4S/c1-7(6-10(14)15)12-11-8-4-2-3-5-9(8)18(16,17)13-11/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)