3-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzoic acid

Systemtic Name: 3-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 3-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]methyl]benzoic acid CAS Name: 3-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]methyl]benzoic acid IUPAC Name: 3-[[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]methyl]benzoic acid Traditional Name: 3-[[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]methyl]benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC(=C1)C(=O)O)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC1=CC=CC(=C1)C(=O)O)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H17NO4S/c1-14(12-5-6-19(17,18)9-12)8-10-3-2-4-11(7-10)13(15)16/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,16)/t12-/m0/s1