disodium 2-[[3-(3-methyl-1,3-benzothiazol-3-ium-5-yl)phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: disodium 2-[[3-(3-methyl-1,3-benzothiazol-3-ium-5-yl)phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: disodium 2-[3-(3-methyl-1,3-benzothiazol-3-ium-5-yl)-N-(2-oxido-2-oxo-ethyl)anilino]acetate CAS Name: disodium 2-[3-(3-methyl-1,3-benzothiazol-3-ium-5-yl)-N-(2-oxido-2-oxoethyl)anilino]acetate IUPAC Name: disodium 2-[3-(3-methyl-1,3-benzothiazol-3-ium-5-yl)-N-(2-oxido-2-oxoethyl)anilino]acetate Traditional Name: disodium 2-[N-(2-keto-2-oxido-ethyl)-3-(3-methyl-1,3-benzothiazol-3-ium-5-yl)anilino]acetate Formula: C18H15N2Na2O4S+ MolecularWeight: 401.36724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CSC2=C1C=C(C=C2)C3=CC(=CC=C3)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C[N+]1=CSC2=C1C=C(C=C2)C3=CC(=CC=C3)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H16N2O4S.2Na/c1-19-11-25-16-6-5-13(8-15(16)19)12-3-2-4-14(7-12)20(9-17(21)22)10-18(23)24;;/h2-8,11H,9-10H2,1H3,(H-,21,22,23,24);;/q;2*+1/p-1