2-methyl-5-(2-methylpropyl)-4-[(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: 2-methyl-5-(2-methylpropyl)-4-[(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanylmethyl]furan-3-carboxylate Openeye Name: 5-isobutyl-2-methyl-4-[(2-oxido-2-oxo-ethyl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-(2-methylpropyl)-4-[[(2-oxido-2-oxoethyl)thio]methyl]-3-furancarboxylate IUPAC Name: 2-methyl-5-(2-methylpropyl)-4-[(2-oxido-2-oxoethyl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 5-isobutyl-4-[[(2-keto-2-oxido-ethyl)thio]methyl]-2-methyl-3-furoate Formula: C13H16O5S-2 MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)CC(C)C)CSCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(O1)CC(C)C)CSCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H18O5S/c1-7(2)4-10-9(5-19-6-11(14)15)12(13(16)17)8(3)18-10/h7H,4-6H2,1-3H3,(H,14,15)(H,16,17)/p-2