3-[4-methyl-5-[2-(5-nitrofuran-2-yl)carbonyloxyethyl]-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[4-methyl-5-[2-(5-nitrofuran-2-yl)carbonyloxyethyl]-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[4-methyl-5-[2-(5-nitrofuran-2-carbonyl)oxyethyl]thiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[4-methyl-5-[2-[(5-nitro-2-furanyl)-oxomethoxy]ethyl]-3-thiazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-methyl-5-[2-(5-nitrofuran-2-carbonyl)oxyethyl]-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[4-methyl-5-[2-(5-nitro-2-furoyl)oxyethyl]thiazol-3-ium-3-yl]propane-1-sulfonate Formula: C14H16N2O8S2 MolecularWeight: 404.41544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CCCS(=O)(=O)[O-])CCOC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=[N+]1CCCS(=O)(=O)[O-])CCOC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O8S2/c1-10-12(25-9-15(10)6-2-8-26(20,21)22)5-7-23-14(17)11-3-4-13(24-11)16(18)19/h3-4,9H,2,5-8H2,1H3