4-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]methyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]methyl]-5-methyl-2-furoic acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(OC(=C1)C(=O)O)C)C2CCS(=O)(=O)C2

Isomeric SMILES

CCN(CC1=C(OC(=C1)C(=O)O)C)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H19NO5S/c1-3-14(11-4-5-20(17,18)8-11)7-10-6-12(13(15)16)19-9(10)2/h6,11H,3-5,7-8H2,1-2H3,(H,15,16)/t11-/m0/s1