ethyl 2-methyl-5-[(2R,3R,4S)-1-methyl-3,4-bis(oxidanyl)thiolan-1-ium-2-yl]furan-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(2R,3R,4S)-1-methyl-3,4-bis(oxidanyl)thiolan-1-ium-2-yl]furan-3-carboxylate Openeye Name: ethyl 5-[(2R,3R,4S)-3,4-dihydroxy-1-methyl-tetrahydrothiophen-1-ium-2-yl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(2R,3R,4S)-3,4-dihydroxy-1-methyl-2-thiolan-1-iumyl]-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R,3R,4S)-3,4-dihydroxy-1-methylthiolan-1-ium-2-yl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(2R,3R,4S)-3,4-dihydroxy-1-methyl-tetrahydrothiophen-1-ium-2-yl]-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C13H19O5S+ MolecularWeight: 287.35196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1)C2C(C(C[S+]2C)O)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1)[C@H]2[C@@H]([C@@H](C[S+]2C)O)O)C

InChI

InChI=1S/C13H19O5S/c1-4-17-13(16)8-5-10(18-7(8)2)12-11(15)9(14)6-19(12)3/h5,9,11-12,14-15H,4,6H2,1-3H3/q+1/t9-,11-,12+,19?/m1/s1