4-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]methyl]-5-methyl-furan-2-carboxylate

Systemtic Name: 4-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-ammonio]methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylammonio]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]-methylazaniumyl]methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[[[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonio]methyl]-5-methyl-2-furoate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO5S/c1-8-9(5-11(18-8)12(14)15)6-13(2)10-3-4-19(16,17)7-10/h5,10H,3-4,6-7H2,1-2H3,(H,14,15)/t10-/m0/s1