ethyl 4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxidanidyl-1,3-thiazol-3-ium-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxidanidyl-1,3-thiazol-3-ium-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-oxido-thiazol-3-ium-5-carboxylate CAS Name: 4-methyl-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-3-oxido-5-thiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxido-1,3-thiazol-3-ium-5-carboxylate Traditional Name: 4-methyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-oxido-thiazol-3-ium-5-carboxylic acid ethyl ester Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(S1)C=CC2=CC=C(O2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(S1)/C=C/C2=CC=C(O2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C13H12N2O6S/c1-3-20-13(16)12-8(2)14(17)11(22-12)7-5-9-4-6-10(21-9)15(18)19/h4-7H,3H2,1-2H3/b7-5+