1-[[4-methyl-5-(2-sulfanylethyl)-1,3-thiazol-1-yl]oxysulfonyl]ethanesulfonate

Systemtic Name: 1-[[4-methyl-5-(2-sulfanylethyl)-1,3-thiazol-1-yl]oxysulfonyl]ethanesulfonate Openeye Name: 1-[4-methyl-5-(2-sulfanylethyl)thiazol-1-yl]oxysulfonylethanesulfonate CAS Name: 1-[[5-(2-mercaptoethyl)-4-methyl-1-thiazolyl]oxysulfonyl]ethanesulfonate IUPAC Name: 1-[[4-methyl-5-(2-sulfanylethyl)-1,3-thiazol-1-yl]oxysulfonyl]ethanesulfonate Traditional Name: 1-[5-(2-mercaptoethyl)-4-methyl-thiazol-1-yl]oxysulfonylethanesulfonate Formula: C8H13NO6S4- MolecularWeight: 347.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([S](C=N1)OS(=O)(=O)C(C)S(=O)(=O)[O-])CCS

Isomeric SMILES

CC1=C([S](C=N1)OS(=O)(=O)C(C)S(=O)(=O)[O-])CCS

InChI

InChI=1S/C8H14NO6S4/c1-6-8(3-4-16)17(5-9-6)15-19(13,14)7(2)18(10,11)12/h5,7,16H,3-4H2,1-2H3,(H,10,11,12)/p-1