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

Systemtic Name: 3-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]ethoxy]benzoic acid Openeye Name: 3-[2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]ethoxy]benzoic acid CAS Name: 3-[2-[(1,1-dioxo-3-thiolanyl)-ethylamino]ethoxy]benzoic acid IUPAC Name: 3-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethoxy]benzoic acid Traditional Name: 3-[2-[(1,1-diketothiolan-3-yl)-ethyl-amino]ethoxy]benzoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC=CC(=C1)C(=O)O)C2CCS(=O)(=O)C2

Isomeric SMILES

CCN(CCOC1=CC=CC(=C1)C(=O)O)C2CCS(=O)(=O)C2

InChI

InChI=1S/C15H21NO5S/c1-2-16(13-6-9-22(19,20)11-13)7-8-21-14-5-3-4-12(10-14)15(17)18/h3-5,10,13H,2,6-9,11H2,1H3,(H,17,18)