5-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[[(3S)-1,1-dioxo-3-thiolanyl]-ethylammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylazaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[[(3S)-1,1-diketothiolan-3-yl]-ethyl-ammonio]methyl]-2-furoate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(O1)C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

CC[NH+](CC1=CC=C(O1)C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C12H17NO5S/c1-2-13(9-5-6-19(16,17)8-9)7-10-3-4-11(18-10)12(14)15/h3-4,9H,2,5-8H2,1H3,(H,14,15)/t9-/m0/s1