methyl 2-methyl-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]furan-3-carboxylic acid methyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC=CC=[N+]2[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC=CC=[N+]2[O-])C(=O)OC

InChI

InChI=1S/C13H13NO4S/c1-9-11(13(15)17-2)7-10(18-9)8-19-12-5-3-4-6-14(12)16/h3-7H,8H2,1-2H3