2-[3-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-azaniumyl]propoxy]benzoate

Systemtic Name: 2-[3-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-azaniumyl]propoxy]benzoate Openeye Name: 2-[3-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-ammonio]propoxy]benzoate CAS Name: 2-[3-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylammonio]propoxy]benzoate IUPAC Name: 2-[3-[[(3S)-1,1-dioxothiolan-3-yl]-ethylazaniumyl]propoxy]benzoate Traditional Name: 2-[3-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-ammonio]propoxy]benzoate Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCOC1=CC=CC=C1C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

CC[NH+](CCCOC1=CC=CC=C1C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C16H23NO5S/c1-2-17(13-8-11-23(20,21)12-13)9-5-10-22-15-7-4-3-6-14(15)16(18)19/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,18,19)/t13-/m0/s1