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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butyric acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S2/c1-19-7-6-9(12(15)16)13-11-8-4-2-3-5-10(8)20(17,18)14-11/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)