sodium 3-[(4-oxidanylidene-1,3-thiazol-2-yl)sulfanyl]propane-1-sulfonate

Systemtic Name: sodium 3-[(4-oxidanylidene-1,3-thiazol-2-yl)sulfanyl]propane-1-sulfonate Openeye Name: sodium 3-(4-oxothiazol-2-yl)sulfanylpropane-1-sulfonate CAS Name: sodium 3-[(4-oxo-2-thiazolyl)thio]-1-propanesulfonate IUPAC Name: sodium 3-[(4-oxo-1,3-thiazol-2-yl)sulfanyl]propane-1-sulfonate Traditional Name: sodium 3-[(4-keto-2-thiazolin-2-yl)thio]propane-1-sulfonate Formula: C6H8NNaO4S3 MolecularWeight: 277.31679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C(S1)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(=O)N=C(S1)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H9NO4S3.Na/c8-5-4-13-6(7-5)12-2-1-3-14(9,10)11;/h1-4H2,(H,9,10,11);/q;+1/p-1