5-[[(2S)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: 5-[[(2S)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: 5-[[(2S)-2-azaniumyl-3-oxido-3-oxo-propyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[(2S)-2-ammonio-3-oxido-3-oxopropyl]thio]methyl]-2-methyl-3-furancarboxylate IUPAC Name: 5-[[(2S)-2-azaniumyl-3-oxido-3-oxopropyl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[(2S)-2-ammonio-3-keto-3-oxido-propyl]thio]methyl]-2-methyl-3-furoate Formula: C10H12NO5S- MolecularWeight: 258.27098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC(C(=O)[O-])[NH3+])C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)CSC[C@H](C(=O)[O-])[NH3+])C(=O)[O-]

InChI

InChI=1S/C10H13NO5S/c1-5-7(9(12)13)2-6(16-5)3-17-4-8(11)10(14)15/h2,8H,3-4,11H2,1H3,(H,12,13)(H,14,15)/p-1/t8-/m1/s1