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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c1-7(2)10(12(15)16)13-11-8-5-3-4-6-9(8)19(17,18)14-11/h3-7,10H,1-2H3,(H,13,14)(H,15,16)