2-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzoic acid

Systemtic Name: 2-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 2-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]methyl]benzoic acid CAS Name: 2-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]methyl]benzoic acid IUPAC Name: 2-[[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]methyl]benzoic acid Traditional Name: 2-[[[(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=C1C(=O)O)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC1=CC=CC=C1C(=O)O)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H17NO4S/c1-14(11-6-7-19(17,18)9-11)8-10-4-2-3-5-12(10)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)/t11-/m0/s1