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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methyl-pentanoic acid CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylpentanoic acid IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylpentanoic acid Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-2-methyl-valeric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-3-8-13(2,12(16)17)14-11-9-6-4-5-7-10(9)20(18,19)15-11/h4-7H,3,8H2,1-2H3,(H,14,15)(H,16,17)