3-[2-azanyl-4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-azanyl-4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-amino-4-(2-ethoxy-2-oxo-ethyl)thiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-amino-4-(2-ethoxy-2-oxoethyl)-3-thiazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-amino-4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-amino-4-(2-ethoxy-2-keto-ethyl)thiazol-3-ium-3-yl]propane-1-sulfonate Formula: C10H16N2O5S2 MolecularWeight: 308.37444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=[N+]1CCCS(=O)(=O)[O-])N

Isomeric SMILES

CCOC(=O)CC1=CSC(=[N+]1CCCS(=O)(=O)[O-])N

InChI

InChI=1S/C10H16N2O5S2/c1-2-17-9(13)6-8-7-18-10(11)12(8)4-3-5-19(14,15)16/h7,11H,2-6H2,1H3,(H,14,15,16)